Molecule record

methyl 2-hydroxy-3-[N-[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate

C₃₁H₃₃N₅O₄

539.64 g/mol

Loading structure

Molecular properties

Formula: C₃₁H₃₃N₅O₄
Molar mass: 539.64 g·mol⁻¹
Exact mass: 539.2532 Da
: 18
PubChem CID: 135423438

Functional groups

Alkane / alkyl carbon

Amide

Aromatic ring

Ester

Ether

Phenol

Tertiary amine

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

(E)-Nintedanib
1160294-26-7
656247-17-5
928326-83-4
BIBF-1120
BIBF1120
BIBF1120,Vargatef
C31H33N5O4

Show all 24 synonyms

G6HRD2P839
INTEDANIB [MI]
Intedanib
MFCD11974012
Nintedanib
Nintedanib (BIBF 1120)
Nintedanib (Standard)
Nintedanib (free base)
Nintedanib D3
Nintedanib E-isomer
Nintedanib [INN]
Nintedanib [USAN:INN]
Nintedanib [USAN]
Ofev (TN)
UNII-G6HRD2P839
Vargatef

Structure identifiers

Canonical SMILES: COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1
Isomeric SMILES: CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O
InChI: InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,33,38H,15-18,20H2,1-3H3
InChIKey: CPMDPSXJELVGJG-UHFFFAOYSA-N
PubChem CID: 135423438

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for methyl 2-hydroxy-3-[N-[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for methyl 2-hydroxy-3-[N-[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

Open source record