3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide

C35H35N7OS — CID 70795396

IUPAC3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide
SMILESCc1nc(-c2ccc3c(c2)nc(C2(NC(=O)c4ccc5c(C6CCCC6)c(-c6cnccn6)n(C)c5c4)CCC2)n3C)cs1
InChIInChI=1S/C35H35N7OS/c1-21-38-28(20-44-21)23-10-12-29-26(17-23)39-34(42(29)3)35(13-6-14-35)40-33(43)24-9-11-25-30(18-24)41(2)32(27-19-36-15-16-37-27)31(25)22-7-4-5-8-22/h9-12,15-20,22H,4-8,13-14H2,1-3H3,(H,40,43)
InChIKeyHAVIOKAADPHPGK-UHFFFAOYSA-N
MW601.78 g/mol
LogP7.42
Rot. Bonds6

About 3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide

3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide (PubChem CID 70795396) has the molecular formula C35H35N7OS and a molecular weight of 601.78 g/mol. Its IUPAC name is 3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide.

Molecular Properties

Compound Name3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide
PubChem CID70795396
Molecular FormulaC35H35N7OS
Molecular Weight601.78 g/mol
Exact Mass601.26
IUPAC Name3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide
SMILESCc1nc(-c2ccc3c(c2)nc(C2(NC(=O)c4ccc5c(C6CCCC6)c(-c6cnccn6)n(C)c5c4)CCC2)n3C)cs1
InChIInChI=1S/C35H35N7OS/c1-21-38-28(20-44-21)23-10-12-29-26(17-23)39-34(42(29)3)35(13-6-14-35)40-33(43)24-9-11-25-30(18-24)41(2)32(27-19-36-15-16-37-27)31(25)22-7-4-5-8-22/h9-12,15-20,22H,4-8,13-14H2,1-3H3,(H,40,43)
InChIKeyHAVIOKAADPHPGK-UHFFFAOYSA-N
XLogP7.42
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.78
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide?
The IUPAC name of 3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide (CID 70795396) is 3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide.
What is the SMILES notation for 3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide?
The canonical SMILES for 3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide is Cc1nc(-c2ccc3c(c2)nc(C2(NC(=O)c4ccc5c(C6CCCC6)c(-c6cnccn6)n(C)c5c4)CCC2)n3C)cs1.
What is the InChIKey of 3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide?
The InChIKey is HAVIOKAADPHPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N7OS/c1-21-38-28(20-44-21)23-10-12-29-26(17-23)39-34(42(29)3)35(13-6-14-35)40-33(43)24-9-11-25-30(18-24)41(2)32(27-19-36-15-16-37-27)31(25)22-7-4-5-8-22/h9-12,15-20,22H,4-8,13-14H2,1-3H3,(H,40,43).
What are the key properties of 3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide?
3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide has a molecular weight of 601.78 g/mol, XLogP of 7.42, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide is sourced from PubChem (CID 70795396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).