3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;methane

C83H105F9N14O10S3 — CID 157291240

About 3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;methane

3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;methane (PubChem CID 157291240) has the molecular formula C83H105F9N14O10S3 and a molecular weight of 1726.02 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;methane.

Molecular Properties

• Compound Name: 3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;methane
• PubChem CID: 157291240
• Molecular Formula: C83H105F9N14O10S3
• Molecular Weight: 1726.02 g/mol
• Exact Mass: 1724.72
• IUPAC Name: 3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;methane
• SMILES: C.C.C.CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(C4CC4)n(CC4CCC(C(F)(F)F)CC4)nc3c2)cc1.CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(C4CC4)n(CC4CCC(C(F)(F)F)CC4)nc3c2)nc1.CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2cnc3c(C4CC4)n(CC4CCC(C(F)(F)F)CC4)nc3c2)nc1
• InChI: InChI=1S/C27H32F3N5O4S.C27H31F3N4O3S.C26H30F3N5O3S.3CH4/c1-2-40(38,39)20-9-10-21(31-13-20)23(15-36)33-26(37)18-11-22-24(32-12-18)25(17-5-6-17)35(34-22)14-16-3-7-19(8-4-16)27(28,29)30;1-2-38(36,37)22-11-5-17(6-12-22)14-32-26(35)20-13-23-24(31-15-20)25(19-7-8-19)34(33-23)16-18-3-9-21(10-4-18)27(28,29)30;1-2-38(36,37)21-10-9-20(30-14-21)13-32-25(35)18-11-22-23(31-12-18)24(17-5-6-17)34(33-22)15-16-3-7-19(8-4-16)26(27,28)29;;;/h9-13,16-17,19,23,36H,2-8,14-15H2,1H3,(H,33,37);5-6,11-13,15,18-19,21H,2-4,7-10,14,16H2,1H3,(H,32,35);9-12,14,16-17,19H,2-8,13,15H2,1H3,(H,32,35);3*1H4/t16?,19?,23-;;;;;/m0...../s1
• InChIKey: BAVCLBOMOLTCMD-FFGBVXQQSA-N
• XLogP: 16.43
• TPSA: 327.86 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 25
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1726.02
LogP ≤ 5	16.43
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;methane?

The IUPAC name of 3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;methane (CID 157291240) is 3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;methane.

What is the SMILES notation for 3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;methane?

The canonical SMILES for 3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;methane is C.C.C.CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(C4CC4)n(CC4CCC(C(F)(F)F)CC4)nc3c2)cc1.CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(C4CC4)n(CC4CCC(C(F)(F)F)CC4)nc3c2)nc1.CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2cnc3c(C4CC4)n(CC4CCC(C(F)(F)F)CC4)nc3c2)nc1.

What is the InChIKey of 3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;methane?

The InChIKey is BAVCLBOMOLTCMD-FFGBVXQQSA-N. The full InChI is InChI=1S/C27H32F3N5O4S.C27H31F3N4O3S.C26H30F3N5O3S.3CH4/c1-2-40(38,39)20-9-10-21(31-13-20)23(15-36)33-26(37)18-11-22-24(32-12-18)25(17-5-6-17)35(34-22)14-16-3-7-19(8-4-16)27(28,29)30;1-2-38(36,37)22-11-5-17(6-12-22)14-32-26(35)20-13-23-24(31-15-20)25(19-7-8-19)34(33-23)16-18-3-9-21(10-4-18)27(28,29)30;1-2-38(36,37)21-10-9-20(30-14-21)13-32-25(35)18-11-22-23(31-12-18)24(17-5-6-17)34(33-22)15-16-3-7-19(8-4-16)26(27,28)29;;;/h9-13,16-17,19,23,36H,2-8,14-15H2,1H3,(H,33,37);5-6,11-13,15,18-19,21H,2-4,7-10,14,16H2,1H3,(H,32,35);9-12,14,16-17,19H,2-8,13,15H2,1H3,(H,32,35);3*1H4/t16?,19?,23-;;;;;/m0...../s1.

What are the key properties of 3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;methane?

3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;methane has a molecular weight of 1726.02 g/mol, XLogP of 16.43, 25 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-cyclopropyl-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide;methane is sourced from PubChem (CID 157291240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).