3-[[5-chloro-1-(4-fluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one

C63H57Cl3F10N14O3 — CID 158174786

About 3-[[5-chloro-1-(4-fluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one

3-[[5-chloro-1-(4-fluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one (PubChem CID 158174786) has the molecular formula C63H57Cl3F10N14O3 and a molecular weight of 1354.58 g/mol. Its IUPAC name is 3-[[5-chloro-1-(4-fluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one.

Molecular Properties

• Compound Name: 3-[[5-chloro-1-(4-fluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one
• PubChem CID: 158174786
• Molecular Formula: C63H57Cl3F10N14O3
• Molecular Weight: 1354.58 g/mol
• Exact Mass: 1352.36
• IUPAC Name: 3-[[5-chloro-1-(4-fluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one
• SMILES: O=c1n(Cc2cc3cc(Cl)ncc3n2CCCC(F)(F)F)c2ccccc2n1CC(F)(F)F.O=c1n(Cc2cc3cc(Cl)ncc3n2CCCC(F)(F)F)c2cnccc2n1C1CC1.O=c1n(Cc2cc3cc(Cl)ncc3n2CCCCF)c2cnccc2n1C1CC1
• InChI: InChI=1S/C21H17ClF6N4O.C21H19ClF3N5O.C21H21ClFN5O/c22-18-9-13-8-14(30(17(13)10-29-18)7-3-6-20(23,24)25)11-31-15-4-1-2-5-16(15)32(19(31)33)12-21(26,27)28;22-19-9-13-8-15(28(17(13)11-27-19)7-1-5-21(23,24)25)12-29-18-10-26-6-4-16(18)30(20(29)31)14-2-3-14;22-20-10-14-9-16(26(8-2-1-6-23)18(14)12-25-20)13-27-19-11-24-7-5-17(19)28(21(27)29)15-3-4-15/h1-2,4-5,8-10H,3,6-7,11-12H2;4,6,8-11,14H,1-3,5,7,12H2;5,7,9-12,15H,1-4,6,8,13H2
• InChIKey: FXWKCAYVOAHACC-UHFFFAOYSA-N
• XLogP: 15.02
• TPSA: 160.03 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 19
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1354.58
LogP ≤ 5	15.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[5-chloro-1-(4-fluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one?

The IUPAC name of 3-[[5-chloro-1-(4-fluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one (CID 158174786) is 3-[[5-chloro-1-(4-fluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one.

What is the SMILES notation for 3-[[5-chloro-1-(4-fluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one?

The canonical SMILES for 3-[[5-chloro-1-(4-fluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one is O=c1n(Cc2cc3cc(Cl)ncc3n2CCCC(F)(F)F)c2ccccc2n1CC(F)(F)F.O=c1n(Cc2cc3cc(Cl)ncc3n2CCCC(F)(F)F)c2cnccc2n1C1CC1.O=c1n(Cc2cc3cc(Cl)ncc3n2CCCCF)c2cnccc2n1C1CC1.

What is the InChIKey of 3-[[5-chloro-1-(4-fluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one?

The InChIKey is FXWKCAYVOAHACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF6N4O.C21H19ClF3N5O.C21H21ClFN5O/c22-18-9-13-8-14(30(17(13)10-29-18)7-3-6-20(23,24)25)11-31-15-4-1-2-5-16(15)32(19(31)33)12-21(26,27)28;22-19-9-13-8-15(28(17(13)11-27-19)7-1-5-21(23,24)25)12-29-18-10-26-6-4-16(18)30(20(29)31)14-2-3-14;22-20-10-14-9-16(26(8-2-1-6-23)18(14)12-25-20)13-27-19-11-24-7-5-17(19)28(21(27)29)15-3-4-15/h1-2,4-5,8-10H,3,6-7,11-12H2;4,6,8-11,14H,1-3,5,7,12H2;5,7,9-12,15H,1-4,6,8,13H2.

What are the key properties of 3-[[5-chloro-1-(4-fluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one?

3-[[5-chloro-1-(4-fluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one has a molecular weight of 1354.58 g/mol, XLogP of 15.02, 19 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-chloro-1-(4-fluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-2-yl]methyl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one is sourced from PubChem (CID 158174786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).