5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-oxadiazol-2-one;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxylic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide

C68H66F2N14O7 — CID 159709709

About 5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-oxadiazol-2-one;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxylic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide

5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-oxadiazol-2-one;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxylic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide (PubChem CID 159709709) has the molecular formula C68H66F2N14O7 and a molecular weight of 1229.36 g/mol. Its IUPAC name is 5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-oxadiazol-2-one;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxylic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide.

Molecular Properties

• Compound Name: 5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-oxadiazol-2-one;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxylic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide
• PubChem CID: 159709709
• Molecular Formula: C68H66F2N14O7
• Molecular Weight: 1229.36 g/mol
• Exact Mass: 1228.52
• IUPAC Name: 5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-oxadiazol-2-one;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxylic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide
• SMILES: Cn1c(-c2ccc(F)cn2)c(C2CCCC2)c2ccc(C(=O)O)cc21.Cn1c(C2(N)CCC2)nc2ccc(-c3n[nH]c(=O)o3)cc21.Cn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ccc(F)cn5)n(C)c4c3)CCC2)nc2ccc(-c3n[nH]c(=O)o3)cc21
• InChI: InChI=1S/C34H32FN7O3.C20H19FN2O2.C14H15N5O2/c1-41-26-16-20(8-11-23(26)28(19-6-3-4-7-19)29(41)25-13-10-22(35)18-36-25)30(43)38-34(14-5-15-34)32-37-24-12-9-21(17-27(24)42(32)2)31-39-40-33(44)45-31;1-23-17-10-13(20(24)25)6-8-15(17)18(12-4-2-3-5-12)19(23)16-9-7-14(21)11-22-16;1-19-10-7-8(11-17-18-13(20)21-11)3-4-9(10)16-12(19)14(15)5-2-6-14/h8-13,16-19H,3-7,14-15H2,1-2H3,(H,38,43)(H,40,44);6-12H,2-5H2,1H3,(H,24,25);3-4,7H,2,5-6,15H2,1H3,(H,18,20)
• InChIKey: MYRDHTOSRNNJEC-UHFFFAOYSA-N
• XLogP: 12.07
• TPSA: 281.48 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1229.36
LogP ≤ 5	12.07
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-oxadiazol-2-one;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxylic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide?

The IUPAC name of 5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-oxadiazol-2-one;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxylic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide (CID 159709709) is 5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-oxadiazol-2-one;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxylic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide.

What is the SMILES notation for 5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-oxadiazol-2-one;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxylic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide?

The canonical SMILES for 5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-oxadiazol-2-one;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxylic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide is Cn1c(-c2ccc(F)cn2)c(C2CCCC2)c2ccc(C(=O)O)cc21.Cn1c(C2(N)CCC2)nc2ccc(-c3n[nH]c(=O)o3)cc21.Cn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ccc(F)cn5)n(C)c4c3)CCC2)nc2ccc(-c3n[nH]c(=O)o3)cc21.

What is the InChIKey of 5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-oxadiazol-2-one;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxylic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide?

The InChIKey is MYRDHTOSRNNJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32FN7O3.C20H19FN2O2.C14H15N5O2/c1-41-26-16-20(8-11-23(26)28(19-6-3-4-7-19)29(41)25-13-10-22(35)18-36-25)30(43)38-34(14-5-15-34)32-37-24-12-9-21(17-27(24)42(32)2)31-39-40-33(44)45-31;1-23-17-10-13(20(24)25)6-8-15(17)18(12-4-2-3-5-12)19(23)16-9-7-14(21)11-22-16;1-19-10-7-8(11-17-18-13(20)21-11)3-4-9(10)16-12(19)14(15)5-2-6-14/h8-13,16-19H,3-7,14-15H2,1-2H3,(H,38,43)(H,40,44);6-12H,2-5H2,1H3,(H,24,25);3-4,7H,2,5-6,15H2,1H3,(H,18,20).

What are the key properties of 5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-oxadiazol-2-one;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxylic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide?

5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-oxadiazol-2-one;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxylic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide has a molecular weight of 1229.36 g/mol, XLogP of 12.07, 11 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-oxadiazol-2-one;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxylic acid;3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide is sourced from PubChem (CID 159709709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).