N-[(2S)-1-[[(7S)-7-methyl-6-oxo-7H-benzo[d][1]benzazepin-5-yl]amino]-1-oxopropan-2-yl]-1H-indole-2-carboxamide

C27H24N4O3 — CID 54233901

IUPACN-[(2S)-1-[[(7S)-7-methyl-6-oxo-7H-benzo[d][1]benzazepin-5-yl]amino]-1-oxopropan-2-yl]-1H-indole-2-carboxamide
SMILESC[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)NN1C(=O)[C@@H](C)c2ccccc2-c2ccccc21
InChIInChI=1S/C27H24N4O3/c1-16-19-10-4-5-11-20(19)21-12-6-8-14-24(21)31(27(16)34)30-25(32)17(2)28-26(33)23-15-18-9-3-7-13-22(18)29-23/h3-17,29H,1-2H3,(H,28,33)(H,30,32)/t16-,17-/m0/s1
InChIKeyQLEMAQQKLKOYST-IRXDYDNUSA-N
MW452.51 g/mol
LogP4.13
Rot. Bonds4

About N-[(2S)-1-[[(7S)-7-methyl-6-oxo-7H-benzo[d][1]benzazepin-5-yl]amino]-1-oxopropan-2-yl]-1H-indole-2-carboxamide

N-[(2S)-1-[[(7S)-7-methyl-6-oxo-7H-benzo[d][1]benzazepin-5-yl]amino]-1-oxopropan-2-yl]-1H-indole-2-carboxamide (PubChem CID 54233901) has the molecular formula C27H24N4O3 and a molecular weight of 452.51 g/mol. Its IUPAC name is N-[(2S)-1-[[(7S)-7-methyl-6-oxo-7H-benzo[d][1]benzazepin-5-yl]amino]-1-oxopropan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(7S)-7-methyl-6-oxo-7H-benzo[d][1]benzazepin-5-yl]amino]-1-oxopropan-2-yl]-1H-indole-2-carboxamide
PubChem CID54233901
Molecular FormulaC27H24N4O3
Molecular Weight452.51 g/mol
Exact Mass452.18
IUPAC NameN-[(2S)-1-[[(7S)-7-methyl-6-oxo-7H-benzo[d][1]benzazepin-5-yl]amino]-1-oxopropan-2-yl]-1H-indole-2-carboxamide
SMILESC[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)NN1C(=O)[C@@H](C)c2ccccc2-c2ccccc21
InChIInChI=1S/C27H24N4O3/c1-16-19-10-4-5-11-20(19)21-12-6-8-14-24(21)31(27(16)34)30-25(32)17(2)28-26(33)23-15-18-9-3-7-13-22(18)29-23/h3-17,29H,1-2H3,(H,28,33)(H,30,32)/t16-,17-/m0/s1
InChIKeyQLEMAQQKLKOYST-IRXDYDNUSA-N
XLogP4.13
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-[[(7S)-7-methyl-6-oxo-7H-benzo[d][1]benzazepin-5-yl]amino]-1-oxopropan-2-yl]-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(7-methyl-6-oxo-7H-benzo[d][1]benzazepin-5-yl)-2-[[2-(2,4,5-trifluorophenyl)acetyl]amino]propanamide
CID 22984316
(2S)-2-[[2-(3-hydroxyphenyl)acetyl]amino]-N-(7-methyl-6-oxo-7H-benzo[d][1]benzazepin-5-yl)propanamide
CID 22984374
(2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(7-methyl-6-oxo-7H-benzo[d][1]benzazepin-5-yl)propanamide
CID 69269410
2-methyl-N-[(2S)-1-[(7-methyl-6-oxo-7H-benzo[d][1]benzazepin-5-yl)amino]-1-oxopropan-2-yl]hexanamide
CID 20589535
(2S)-2-[[(2S)-2-hydroxy-3-methylbutyl]amino]-N-(7-methyl-6-oxo-7H-benzo[d][1]benzazepin-5-yl)propanamide
CID 20578884
4-(4-methoxyphenyl)-N-[(2S)-1-[(7-methyl-6-oxo-7H-benzo[d][1]benzazepin-5-yl)amino]-1-oxopropan-2-yl]butanamide
CID 22984392
N-[(2S)-1-[(7-methyl-6-oxo-7H-benzo[d][1]benzazepin-5-yl)amino]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 22975069
tert-butyl N-[(2S)-1-[(9-fluoro-7-methyl-6-oxo-7H-benzo[d][1]benzazepin-5-yl)amino]-1-oxopropan-2-yl]carbamate
CID 11510172
tert-butyl N-[(2S)-3,3-dimethyl-1-[[(7R)-7-methyl-6-oxo-7H-benzo[d][1]benzazepin-5-yl]amino]-1-oxobutan-2-yl]carbamate
CID 23552813
N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 74586245
N-[(1R)-1-cyanoethyl]-1H-indole-2-carboxamide
CID 95253875
N-(4-hydroxybutan-2-yl)-1H-indole-2-carboxamide
CID 81042932

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(7S)-7-methyl-6-oxo-7H-benzo[d][1]benzazepin-5-yl]amino]-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-[(2S)-1-[[(7S)-7-methyl-6-oxo-7H-benzo[d][1]benzazepin-5-yl]amino]-1-oxopropan-2-yl]-1H-indole-2-carboxamide (CID 54233901) is N-[(2S)-1-[[(7S)-7-methyl-6-oxo-7H-benzo[d][1]benzazepin-5-yl]amino]-1-oxopropan-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[(7S)-7-methyl-6-oxo-7H-benzo[d][1]benzazepin-5-yl]amino]-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[[(7S)-7-methyl-6-oxo-7H-benzo[d][1]benzazepin-5-yl]amino]-1-oxopropan-2-yl]-1H-indole-2-carboxamide is C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)NN1C(=O)[C@@H](C)c2ccccc2-c2ccccc21.
What is the InChIKey of N-[(2S)-1-[[(7S)-7-methyl-6-oxo-7H-benzo[d][1]benzazepin-5-yl]amino]-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
The InChIKey is QLEMAQQKLKOYST-IRXDYDNUSA-N. The full InChI is InChI=1S/C27H24N4O3/c1-16-19-10-4-5-11-20(19)21-12-6-8-14-24(21)31(27(16)34)30-25(32)17(2)28-26(33)23-15-18-9-3-7-13-22(18)29-23/h3-17,29H,1-2H3,(H,28,33)(H,30,32)/t16-,17-/m0/s1.
What are the key properties of N-[(2S)-1-[[(7S)-7-methyl-6-oxo-7H-benzo[d][1]benzazepin-5-yl]amino]-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
N-[(2S)-1-[[(7S)-7-methyl-6-oxo-7H-benzo[d][1]benzazepin-5-yl]amino]-1-oxopropan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 452.51 g/mol, XLogP of 4.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(7S)-7-methyl-6-oxo-7H-benzo[d][1]benzazepin-5-yl]amino]-1-oxopropan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 54233901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).