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

C35H35N7O2 — CID 70795397

IUPAC3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide
SMILESCc1nnc(-c2ccc3nc(C4(NC(=O)c5ccc6c(C7CCCC7)c(-c7ccccn7)n(C)c6c5)CCC4)n(C)c3c2)o1
InChIInChI=1S/C35H35N7O2/c1-21-39-40-33(44-21)24-13-15-26-29(20-24)42(3)34(37-26)35(16-8-17-35)38-32(43)23-12-14-25-28(19-23)41(2)31(27-11-6-7-18-36-27)30(25)22-9-4-5-10-22/h6-7,11-15,18-20,22H,4-5,8-10,16-17H2,1-3H3,(H,38,43)
InChIKeyWEEMCWMQXFRRSD-UHFFFAOYSA-N
MW585.71 g/mol
LogP6.95
Rot. Bonds6

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

3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide (PubChem CID 70795397) has the molecular formula C35H35N7O2 and a molecular weight of 585.71 g/mol. Its IUPAC name is 3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide.

Molecular Properties

Compound Name3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide
PubChem CID70795397
Molecular FormulaC35H35N7O2
Molecular Weight585.71 g/mol
Exact Mass585.29
IUPAC Name3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide
SMILESCc1nnc(-c2ccc3nc(C4(NC(=O)c5ccc6c(C7CCCC7)c(-c7ccccn7)n(C)c6c5)CCC4)n(C)c3c2)o1
InChIInChI=1S/C35H35N7O2/c1-21-39-40-33(44-21)24-13-15-26-29(20-24)42(3)34(37-26)35(16-8-17-35)38-32(43)23-12-14-25-28(19-23)41(2)31(27-11-6-7-18-36-27)30(25)22-9-4-5-10-22/h6-7,11-15,18-20,22H,4-5,8-10,16-17H2,1-3H3,(H,38,43)
InChIKeyWEEMCWMQXFRRSD-UHFFFAOYSA-N
XLogP6.95
TPSA103.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.71
LogP ≤ 56.95
H-Bond Donors ≤ 51
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-(5-methyl-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide?
The IUPAC name of 3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide (CID 70795397) is 3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(5-methyl-1,3,4-oxadiazol-2-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-(5-methyl-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide?
The canonical SMILES for 3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide is Cc1nnc(-c2ccc3nc(C4(NC(=O)c5ccc6c(C7CCCC7)c(-c7ccccn7)n(C)c6c5)CCC4)n(C)c3c2)o1.
What is the InChIKey of 3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide?
The InChIKey is WEEMCWMQXFRRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N7O2/c1-21-39-40-33(44-21)24-13-15-26-29(20-24)42(3)34(37-26)35(16-8-17-35)38-32(43)23-12-14-25-28(19-23)41(2)31(27-11-6-7-18-36-27)30(25)22-9-4-5-10-22/h6-7,11-15,18-20,22H,4-5,8-10,16-17H2,1-3H3,(H,38,43).
What are the key properties of 3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide?
3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide has a molecular weight of 585.71 g/mol, XLogP of 6.95, 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-6-(5-methyl-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide is sourced from PubChem (CID 70795397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).