3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide

C35H34FN7O3 — CID 58111257

IUPAC3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide
SMILESCn1nc(-c2ccc3nc(C4(NC(=O)c5ccc6c(C7CCCC7)c(-c7ccc(F)cn7)n(C)c6c5)CCC4)n(C)c3c2)oc1=O
InChIInChI=1S/C35H34FN7O3/c1-41-27-17-21(9-12-24(27)29(20-7-4-5-8-20)30(41)26-14-11-23(36)19-37-26)31(44)39-35(15-6-16-35)33-38-25-13-10-22(18-28(25)42(33)2)32-40-43(3)34(45)46-32/h9-14,17-20H,4-8,15-16H2,1-3H3,(H,39,44)
InChIKeyXXDZIUVEFLXGNJ-UHFFFAOYSA-N
MW619.70 g/mol
LogP6.09
Rot. Bonds6

About 3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide

3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide (PubChem CID 58111257) has the molecular formula C35H34FN7O3 and a molecular weight of 619.70 g/mol. Its IUPAC name is 3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide.

Molecular Properties

Compound Name3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide
PubChem CID58111257
Molecular FormulaC35H34FN7O3
Molecular Weight619.70 g/mol
Exact Mass619.27
IUPAC Name3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide
SMILESCn1nc(-c2ccc3nc(C4(NC(=O)c5ccc6c(C7CCCC7)c(-c7ccc(F)cn7)n(C)c6c5)CCC4)n(C)c3c2)oc1=O
InChIInChI=1S/C35H34FN7O3/c1-41-27-17-21(9-12-24(27)29(20-7-4-5-8-20)30(41)26-14-11-23(36)19-37-26)31(44)39-35(15-6-16-35)33-38-25-13-10-22(18-28(25)42(33)2)32-40-43(3)34(45)46-32/h9-14,17-20H,4-8,15-16H2,1-3H3,(H,39,44)
InChIKeyXXDZIUVEFLXGNJ-UHFFFAOYSA-N
XLogP6.09
TPSA112.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.70
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide?
The IUPAC name of 3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide (CID 58111257) is 3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide.
What is the SMILES notation for 3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide?
The canonical SMILES for 3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide is Cn1nc(-c2ccc3nc(C4(NC(=O)c5ccc6c(C7CCCC7)c(-c7ccc(F)cn7)n(C)c6c5)CCC4)n(C)c3c2)oc1=O.
What is the InChIKey of 3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide?
The InChIKey is XXDZIUVEFLXGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34FN7O3/c1-41-27-17-21(9-12-24(27)29(20-7-4-5-8-20)30(41)26-14-11-23(36)19-37-26)31(44)39-35(15-6-16-35)33-38-25-13-10-22(18-28(25)42(33)2)32-40-43(3)34(45)46-32/h9-14,17-20H,4-8,15-16H2,1-3H3,(H,39,44).
What are the key properties of 3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide?
3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide has a molecular weight of 619.70 g/mol, XLogP of 6.09, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide is sourced from PubChem (CID 58111257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).