6-chloro-N-[(2S)-3,3-dimethyl-1-[(1S,4S)-5-(5-methyl-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxobutan-2-yl]-1H-indole-2-carboxamide

C30H32ClN5O3 — CID 67215569

IUPAC6-chloro-N-[(2S)-3,3-dimethyl-1-[(1S,4S)-5-(5-methyl-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxobutan-2-yl]-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)N3C[C@@H]4C[C@H]3CN4C(=O)[C@@H](NC(=O)c3cc4ccc(Cl)cc4[nH]3)C(C)(C)C)cc2c1
InChIInChI=1S/C30H32ClN5O3/c1-16-5-8-22-18(9-16)11-25(32-22)28(38)35-14-21-13-20(35)15-36(21)29(39)26(30(2,3)4)34-27(37)24-10-17-6-7-19(31)12-23(17)33-24/h5-12,20-21,26,32-33H,13-15H2,1-4H3,(H,34,37)/t20-,21-,26+/m0/s1
InChIKeySFLDCTIFVCYRPJ-ISJBWFOZSA-N
MW546.07 g/mol
LogP4.88
Rot. Bonds4

About 6-chloro-N-[(2S)-3,3-dimethyl-1-[(1S,4S)-5-(5-methyl-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxobutan-2-yl]-1H-indole-2-carboxamide

6-chloro-N-[(2S)-3,3-dimethyl-1-[(1S,4S)-5-(5-methyl-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxobutan-2-yl]-1H-indole-2-carboxamide (PubChem CID 67215569) has the molecular formula C30H32ClN5O3 and a molecular weight of 546.07 g/mol. Its IUPAC name is 6-chloro-N-[(2S)-3,3-dimethyl-1-[(1S,4S)-5-(5-methyl-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxobutan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(2S)-3,3-dimethyl-1-[(1S,4S)-5-(5-methyl-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxobutan-2-yl]-1H-indole-2-carboxamide
PubChem CID67215569
Molecular FormulaC30H32ClN5O3
Molecular Weight546.07 g/mol
Exact Mass545.22
IUPAC Name6-chloro-N-[(2S)-3,3-dimethyl-1-[(1S,4S)-5-(5-methyl-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxobutan-2-yl]-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)N3C[C@@H]4C[C@H]3CN4C(=O)[C@@H](NC(=O)c3cc4ccc(Cl)cc4[nH]3)C(C)(C)C)cc2c1
InChIInChI=1S/C30H32ClN5O3/c1-16-5-8-22-18(9-16)11-25(32-22)28(38)35-14-21-13-20(35)15-36(21)29(39)26(30(2,3)4)34-27(37)24-10-17-6-7-19(31)12-23(17)33-24/h5-12,20-21,26,32-33H,13-15H2,1-4H3,(H,34,37)/t20-,21-,26+/m0/s1
InChIKeySFLDCTIFVCYRPJ-ISJBWFOZSA-N
XLogP4.88
TPSA101.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.07
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N-[(2S)-3,3-dimethyl-1-[(1S,4S)-5-(5-methyl-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxobutan-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

6-chloro-N-[(2S)-1-[(1S,4S)-5-(4-fluoro-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
CID 67072536
N-[1-[(1S,4S)-5-(2,5-dichlorobenzoyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
CID 134247230
N-[1-[(1S,4S)-5-(4-chlorobenzoyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
CID 134247222
6-chloro-N-[(2S)-1-[(1S,4S)-5-(indolizine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
CID 67072346
N-[(2S)-1-[(1S,4S)-5-(4-chloro-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
CID 44623987
N-[(2S)-1-[(1S,4S,7R)-5-(2-chloro-4-methylbenzoyl)-7-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
CID 143931473
N-[(2S)-1-[(1S,4S)-5-(1-benzothiophene-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
CID 44624897
N-[(2S)-1-[(1S,4S)-5-[(2S)-1-(2,4-dichlorophenyl)sulfonylazetidine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
CID 69008755
N-[(2S)-3,3-dimethyl-1-[(1S,4S)-5-(6-methyl-5-phenylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxobutan-2-yl]-1H-indole-2-carboxamide
CID 44624750
N-[3,3-dihydroxy-1-oxo-1-[5-(5-phenylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]butan-2-yl]-6-methyl-1H-indole-2-carboxamide
CID 91208121
N-[(2S)-3,3-dimethyl-1-oxo-1-[(1R,4R)-5-(5-phenylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]butan-2-yl]-1H-indole-2-carboxamide
CID 58286586
N-[3,3-dimethyl-1-oxo-1-[(1R,4R)-5-(5-phenylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]butan-2-yl]-1H-indole-2-carboxamide
CID 134247208

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2S)-3,3-dimethyl-1-[(1S,4S)-5-(5-methyl-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxobutan-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-N-[(2S)-3,3-dimethyl-1-[(1S,4S)-5-(5-methyl-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxobutan-2-yl]-1H-indole-2-carboxamide (CID 67215569) is 6-chloro-N-[(2S)-3,3-dimethyl-1-[(1S,4S)-5-(5-methyl-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxobutan-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[(2S)-3,3-dimethyl-1-[(1S,4S)-5-(5-methyl-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxobutan-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-N-[(2S)-3,3-dimethyl-1-[(1S,4S)-5-(5-methyl-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxobutan-2-yl]-1H-indole-2-carboxamide is Cc1ccc2[nH]c(C(=O)N3C[C@@H]4C[C@H]3CN4C(=O)[C@@H](NC(=O)c3cc4ccc(Cl)cc4[nH]3)C(C)(C)C)cc2c1.
What is the InChIKey of 6-chloro-N-[(2S)-3,3-dimethyl-1-[(1S,4S)-5-(5-methyl-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxobutan-2-yl]-1H-indole-2-carboxamide?
The InChIKey is SFLDCTIFVCYRPJ-ISJBWFOZSA-N. The full InChI is InChI=1S/C30H32ClN5O3/c1-16-5-8-22-18(9-16)11-25(32-22)28(38)35-14-21-13-20(35)15-36(21)29(39)26(30(2,3)4)34-27(37)24-10-17-6-7-19(31)12-23(17)33-24/h5-12,20-21,26,32-33H,13-15H2,1-4H3,(H,34,37)/t20-,21-,26+/m0/s1.
What are the key properties of 6-chloro-N-[(2S)-3,3-dimethyl-1-[(1S,4S)-5-(5-methyl-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxobutan-2-yl]-1H-indole-2-carboxamide?
6-chloro-N-[(2S)-3,3-dimethyl-1-[(1S,4S)-5-(5-methyl-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxobutan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 546.07 g/mol, XLogP of 4.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2S)-3,3-dimethyl-1-[(1S,4S)-5-(5-methyl-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxobutan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 67215569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).