3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide

C34H33N7O3 — CID 11399142

IUPAC3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide
SMILESCn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ccccn5)n(C)c4c3)CCC2)nc2ccc(-c3n[nH]c(=O)o3)cc21
InChIInChI=1S/C34H33N7O3/c1-40-26-18-21(11-13-23(26)28(20-8-3-4-9-20)29(40)25-10-5-6-17-35-25)30(42)37-34(15-7-16-34)32-36-24-14-12-22(19-27(24)41(32)2)31-38-39-33(43)44-31/h5-6,10-14,17-20H,3-4,7-9,15-16H2,1-2H3,(H,37,42)(H,39,43)
InChIKeyIJDUJDYWGGVAHD-UHFFFAOYSA-N
MW587.68 g/mol
LogP5.94
Rot. Bonds6

About 3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide

3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide (PubChem CID 11399142) has the molecular formula C34H33N7O3 and a molecular weight of 587.68 g/mol. Its IUPAC name is 3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide.

Molecular Properties

Compound Name3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide
PubChem CID11399142
Molecular FormulaC34H33N7O3
Molecular Weight587.68 g/mol
Exact Mass587.26
IUPAC Name3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide
SMILESCn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ccccn5)n(C)c4c3)CCC2)nc2ccc(-c3n[nH]c(=O)o3)cc21
InChIInChI=1S/C34H33N7O3/c1-40-26-18-21(11-13-23(26)28(20-8-3-4-9-20)29(40)25-10-5-6-17-35-25)30(42)37-34(15-7-16-34)32-36-24-14-12-22(19-27(24)41(32)2)31-38-39-33(43)44-31/h5-6,10-14,17-20H,3-4,7-9,15-16H2,1-2H3,(H,37,42)(H,39,43)
InChIKeyIJDUJDYWGGVAHD-UHFFFAOYSA-N
XLogP5.94
TPSA123.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.68
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide?
The IUPAC name of 3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide (CID 11399142) is 3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide.
What is the SMILES notation for 3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide?
The canonical SMILES for 3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide is Cn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ccccn5)n(C)c4c3)CCC2)nc2ccc(-c3n[nH]c(=O)o3)cc21.
What is the InChIKey of 3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide?
The InChIKey is IJDUJDYWGGVAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N7O3/c1-40-26-18-21(11-13-23(26)28(20-8-3-4-9-20)29(40)25-10-5-6-17-35-25)30(42)37-34(15-7-16-34)32-36-24-14-12-22(19-27(24)41(32)2)31-38-39-33(43)44-31/h5-6,10-14,17-20H,3-4,7-9,15-16H2,1-2H3,(H,37,42)(H,39,43).
What are the key properties of 3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide?
3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide has a molecular weight of 587.68 g/mol, XLogP of 5.94, 6 rotatable bonds, 2 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-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide is sourced from PubChem (CID 11399142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).