N-[(1S)-1-(4-bromo-2-fluorophenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclohexyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclohexyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclopentyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;N-[(1S)-1-(2-fluoro-4-methylsulfonylphenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide

C116H142BrF10N23O13S4 — CID 158143374

About N-[(1S)-1-(4-bromo-2-fluorophenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclohexyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclohexyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclopentyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;N-[(1S)-1-(2-fluoro-4-methylsulfonylphenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide

N-[(1S)-1-(4-bromo-2-fluorophenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclohexyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclohexyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclopentyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;N-[(1S)-1-(2-fluoro-4-methylsulfonylphenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide (PubChem CID 158143374) has the molecular formula C116H142BrF10N23O13S4 and a molecular weight of 2464.71 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromo-2-fluorophenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclohexyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclohexyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclopentyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;N-[(1S)-1-(2-fluoro-4-methylsulfonylphenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(4-bromo-2-fluorophenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclohexyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclohexyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclopentyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;N-[(1S)-1-(2-fluoro-4-methylsulfonylphenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
• PubChem CID: 158143374
• Molecular Formula: C116H142BrF10N23O13S4
• Molecular Weight: 2464.71 g/mol
• Exact Mass: 2461.91
• IUPAC Name: N-[(1S)-1-(4-bromo-2-fluorophenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclohexyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclohexyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclopentyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;N-[(1S)-1-(2-fluoro-4-methylsulfonylphenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
• SMILES: CCC[C@H](NC(=O)N1CCCc2c1cnn2C1CCCC1)c1ccnc(S(C)(=O)=O)c1.CCC[C@H](NC(=O)N1CCCc2c1cnn2C1CCCCC1)c1ccnc(S(C)(=O)=O)c1.CCC[C@H](NC(=O)N1c2cnn(-c3ccc(F)cc3)c2CCC1C(F)(F)F)c1ccc(Br)cc1F.CCC[C@H](NC(=O)N1c2cnn(-c3ccc(F)cc3)c2CCC1C(F)(F)F)c1ccc(S(C)(=O)=O)cc1F.CC[C@H](NC(=O)N1CCCc2c1cnn2C1CCCCC1)c1ccnc(S(C)(=O)=O)c1
• InChI: InChI=1S/C25H25F5N4O3S.C24H22BrF5N4O.C23H33N5O3S.2C22H31N5O3S/c1-3-4-20(18-10-9-17(13-19(18)27)38(2,36)37)32-24(35)33-22-14-31-34(16-7-5-15(26)6-8-16)21(22)11-12-23(33)25(28,29)30;1-2-3-19(17-9-4-14(25)12-18(17)27)32-23(35)33-21-13-31-34(16-7-5-15(26)6-8-16)20(21)10-11-22(33)24(28,29)30;1-3-8-19(17-12-13-24-22(15-17)32(2,30)31)26-23(29)27-14-7-11-20-21(27)16-25-28(20)18-9-5-4-6-10-18;1-3-7-18(16-11-12-23-21(14-16)31(2,29)30)25-22(28)26-13-6-10-19-20(26)15-24-27(19)17-8-4-5-9-17;1-3-18(16-11-12-23-21(14-16)31(2,29)30)25-22(28)26-13-7-10-19-20(26)15-24-27(19)17-8-5-4-6-9-17/h5-10,13-14,20,23H,3-4,11-12H2,1-2H3,(H,32,35);4-9,12-13,19,22H,2-3,10-11H2,1H3,(H,32,35);12-13,15-16,18-19H,3-11,14H2,1-2H3,(H,26,29);2*11-12,14-15,17-18H,3-10,13H2,1-2H3,(H,25,28)/t20-,23?;19-,22?;19-;2*18-/m00000/s1
• InChIKey: FUFIZMRLZJXNSE-VBMJVPBUSA-N
• XLogP: 24.13
• TPSA: 426.03 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 28
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2464.71
LogP ≤ 5	24.13
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromo-2-fluorophenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclohexyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclohexyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclopentyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;N-[(1S)-1-(2-fluoro-4-methylsulfonylphenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?

The IUPAC name of N-[(1S)-1-(4-bromo-2-fluorophenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclohexyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclohexyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclopentyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;N-[(1S)-1-(2-fluoro-4-methylsulfonylphenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide (CID 158143374) is N-[(1S)-1-(4-bromo-2-fluorophenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclohexyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclohexyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclopentyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;N-[(1S)-1-(2-fluoro-4-methylsulfonylphenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide.

What is the SMILES notation for N-[(1S)-1-(4-bromo-2-fluorophenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclohexyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclohexyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclopentyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;N-[(1S)-1-(2-fluoro-4-methylsulfonylphenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?

The canonical SMILES for N-[(1S)-1-(4-bromo-2-fluorophenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclohexyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclohexyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclopentyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;N-[(1S)-1-(2-fluoro-4-methylsulfonylphenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide is CCC[C@H](NC(=O)N1CCCc2c1cnn2C1CCCC1)c1ccnc(S(C)(=O)=O)c1.CCC[C@H](NC(=O)N1CCCc2c1cnn2C1CCCCC1)c1ccnc(S(C)(=O)=O)c1.CCC[C@H](NC(=O)N1c2cnn(-c3ccc(F)cc3)c2CCC1C(F)(F)F)c1ccc(Br)cc1F.CCC[C@H](NC(=O)N1c2cnn(-c3ccc(F)cc3)c2CCC1C(F)(F)F)c1ccc(S(C)(=O)=O)cc1F.CC[C@H](NC(=O)N1CCCc2c1cnn2C1CCCCC1)c1ccnc(S(C)(=O)=O)c1.

What is the InChIKey of N-[(1S)-1-(4-bromo-2-fluorophenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclohexyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclohexyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclopentyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;N-[(1S)-1-(2-fluoro-4-methylsulfonylphenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?

The InChIKey is FUFIZMRLZJXNSE-VBMJVPBUSA-N. The full InChI is InChI=1S/C25H25F5N4O3S.C24H22BrF5N4O.C23H33N5O3S.2C22H31N5O3S/c1-3-4-20(18-10-9-17(13-19(18)27)38(2,36)37)32-24(35)33-22-14-31-34(16-7-5-15(26)6-8-16)21(22)11-12-23(33)25(28,29)30;1-2-3-19(17-9-4-14(25)12-18(17)27)32-23(35)33-21-13-31-34(16-7-5-15(26)6-8-16)20(21)10-11-22(33)24(28,29)30;1-3-8-19(17-12-13-24-22(15-17)32(2,30)31)26-23(29)27-14-7-11-20-21(27)16-25-28(20)18-9-5-4-6-10-18;1-3-7-18(16-11-12-23-21(14-16)31(2,29)30)25-22(28)26-13-6-10-19-20(26)15-24-27(19)17-8-4-5-9-17;1-3-18(16-11-12-23-21(14-16)31(2,29)30)25-22(28)26-13-7-10-19-20(26)15-24-27(19)17-8-5-4-6-9-17/h5-10,13-14,20,23H,3-4,11-12H2,1-2H3,(H,32,35);4-9,12-13,19,22H,2-3,10-11H2,1H3,(H,32,35);12-13,15-16,18-19H,3-11,14H2,1-2H3,(H,26,29);2*11-12,14-15,17-18H,3-10,13H2,1-2H3,(H,25,28)/t20-,23?;19-,22?;19-;2*18-/m00000/s1.

What are the key properties of N-[(1S)-1-(4-bromo-2-fluorophenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclohexyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclohexyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclopentyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;N-[(1S)-1-(2-fluoro-4-methylsulfonylphenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?

N-[(1S)-1-(4-bromo-2-fluorophenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclohexyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclohexyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclopentyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;N-[(1S)-1-(2-fluoro-4-methylsulfonylphenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide has a molecular weight of 2464.71 g/mol, XLogP of 24.13, 28 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(4-bromo-2-fluorophenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclohexyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclohexyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-cyclopentyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;N-[(1S)-1-(2-fluoro-4-methylsulfonylphenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide is sourced from PubChem (CID 158143374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).