(Z)-Methyl 3-(((4-(N-methyl-2-(piperazin-1-yl)acetamido)phenyl)amino)(phenyl)methylene)-2-oxoindoline-6-carboxylate

C₃₀H₃₁N₅O₄CAS 334951-61-0525.61 g/mol

Open in Covalent MOL file

Amide Ester Imine Phenol Secondary amine Tertiary amine

Properties

Molecular formula: C₃₀H₃₁N₅O₄
Molar mass: 525.61 g/mol
Exact mass: 525.2376 Da
logP: 3.70Crippen estimate
Polar surface area: 110.3 Å²
H-bond donors / acceptors: 3 / 7
Rotatable bonds: 7

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

334951-61-0

SMILES

CN(C1=CC=C(C=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)OC)O)C(=O)CN5CCNCC5

InChIKey

DHQZZWWAHZVLDA-UHFFFAOYSA-N

InChI

InChI=1S/C30H31N5O4/c1-34(26(36)19-35-16-14-31-15-17-35)23-11-9-22(10-12-23)32-28(20-6-4-3-5-7-20)27-24-13-8-21(30(38)39-2)18-25(24)33-29(27)37/h3-13,18,31,33,37H,14-17,19H2,1-2H3

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Names and synonyms

1 names

Nintedanib impurity I

Work with (Z)-Methyl 3-(((4-(N-methyl-2-(piperazin-1-yl)acetamido)phenyl)amino)(phenyl)methylene)-2-oxoindoline-6-carboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Nintedanib656247-17-546 % similar Nintedanib928326-83-446 % similar Nintedanib esylate656247-18-641 % similar 4-Piperazin-1-ylmethyl-benzoic acid methyl ester86620-81-735 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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