N-[(1S)-1-(3-fluoro-5-methylsulfonylphenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methyl-4-pyridinyl)butyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(3-methylsulfonylphenyl)propyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide

C116H124F9N25O13S4 — CID 159863483

About N-[(1S)-1-(3-fluoro-5-methylsulfonylphenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methyl-4-pyridinyl)butyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(3-methylsulfonylphenyl)propyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide

N-[(1S)-1-(3-fluoro-5-methylsulfonylphenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methyl-4-pyridinyl)butyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(3-methylsulfonylphenyl)propyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide (PubChem CID 159863483) has the molecular formula C116H124F9N25O13S4 and a molecular weight of 2375.68 g/mol. Its IUPAC name is N-[(1S)-1-(3-fluoro-5-methylsulfonylphenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methyl-4-pyridinyl)butyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(3-methylsulfonylphenyl)propyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(3-fluoro-5-methylsulfonylphenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methyl-4-pyridinyl)butyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(3-methylsulfonylphenyl)propyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide
• PubChem CID: 159863483
• Molecular Formula: C116H124F9N25O13S4
• Molecular Weight: 2375.68 g/mol
• Exact Mass: 2373.85
• IUPAC Name: N-[(1S)-1-(3-fluoro-5-methylsulfonylphenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methyl-4-pyridinyl)butyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(3-methylsulfonylphenyl)propyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide
• SMILES: CCC[C@H](NC(=O)N1CCc2c1cnn2-c1ccc(F)cc1)c1ccnc(C)c1.CCC[C@H](NC(=O)N1CCc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1.CCC[C@H](NC(=O)N1c2cnn(-c3ccc(F)cc3)c2CCC1C(F)(F)F)c1cc(F)cc(S(C)(=O)=O)c1.CCC[C@H](NC(=O)N1c2cnn(-c3ccc(F)cc3)c2CCC1C)c1cc(S(C)(=O)=O)nc2[nH]ncc12.CC[C@H](NC(=O)N1CCc2c1cnn2-c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1
• InChI: InChI=1S/C25H25F5N4O3S.C25H28FN7O3S.C22H24FN5O3S.C22H24FN5O.C22H23FN4O3S/c1-3-4-20(15-11-17(27)13-19(12-15)38(2,36)37)32-24(35)33-22-14-31-34(18-7-5-16(26)6-8-18)21(22)9-10-23(33)25(28,29)30;1-4-5-20(18-12-23(37(3,35)36)30-24-19(18)13-27-31-24)29-25(34)32-15(2)6-11-21-22(32)14-28-33(21)17-9-7-16(26)8-10-17;1-3-4-18(15-9-11-24-21(13-15)32(2,30)31)26-22(29)27-12-10-19-20(27)14-25-28(19)17-7-5-16(23)6-8-17;1-3-4-19(16-9-11-24-15(2)13-16)26-22(29)27-12-10-20-21(27)14-25-28(20)18-7-5-17(23)6-8-18;1-3-19(15-5-4-6-18(13-15)31(2,29)30)25-22(28)26-12-11-20-21(26)14-24-27(20)17-9-7-16(23)8-10-17/h5-8,11-14,20,23H,3-4,9-10H2,1-2H3,(H,32,35);7-10,12-15,20H,4-6,11H2,1-3H3,(H,29,34)(H,27,30,31);5-9,11,13-14,18H,3-4,10,12H2,1-2H3,(H,26,29);5-9,11,13-14,19H,3-4,10,12H2,1-2H3,(H,26,29);4-10,13-14,19H,3,11-12H2,1-2H3,(H,25,28)/t20-,23?;15?,20-;18-;2*19-/m00000/s1
• InChIKey: NRLBUXMHOVWKKV-YQSHSQJNSA-N
• XLogP: 20.96
• TPSA: 454.71 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 28
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2375.68
LogP ≤ 5	20.96
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-fluoro-5-methylsulfonylphenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methyl-4-pyridinyl)butyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(3-methylsulfonylphenyl)propyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide?

The IUPAC name of N-[(1S)-1-(3-fluoro-5-methylsulfonylphenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methyl-4-pyridinyl)butyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(3-methylsulfonylphenyl)propyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide (CID 159863483) is N-[(1S)-1-(3-fluoro-5-methylsulfonylphenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methyl-4-pyridinyl)butyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(3-methylsulfonylphenyl)propyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide.

What is the SMILES notation for N-[(1S)-1-(3-fluoro-5-methylsulfonylphenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methyl-4-pyridinyl)butyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(3-methylsulfonylphenyl)propyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide?

The canonical SMILES for N-[(1S)-1-(3-fluoro-5-methylsulfonylphenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methyl-4-pyridinyl)butyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(3-methylsulfonylphenyl)propyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide is CCC[C@H](NC(=O)N1CCc2c1cnn2-c1ccc(F)cc1)c1ccnc(C)c1.CCC[C@H](NC(=O)N1CCc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1.CCC[C@H](NC(=O)N1c2cnn(-c3ccc(F)cc3)c2CCC1C(F)(F)F)c1cc(F)cc(S(C)(=O)=O)c1.CCC[C@H](NC(=O)N1c2cnn(-c3ccc(F)cc3)c2CCC1C)c1cc(S(C)(=O)=O)nc2[nH]ncc12.CC[C@H](NC(=O)N1CCc2c1cnn2-c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1.

What is the InChIKey of N-[(1S)-1-(3-fluoro-5-methylsulfonylphenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methyl-4-pyridinyl)butyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(3-methylsulfonylphenyl)propyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide?

The InChIKey is NRLBUXMHOVWKKV-YQSHSQJNSA-N. The full InChI is InChI=1S/C25H25F5N4O3S.C25H28FN7O3S.C22H24FN5O3S.C22H24FN5O.C22H23FN4O3S/c1-3-4-20(15-11-17(27)13-19(12-15)38(2,36)37)32-24(35)33-22-14-31-34(18-7-5-16(26)6-8-18)21(22)9-10-23(33)25(28,29)30;1-4-5-20(18-12-23(37(3,35)36)30-24-19(18)13-27-31-24)29-25(34)32-15(2)6-11-21-22(32)14-28-33(21)17-9-7-16(26)8-10-17;1-3-4-18(15-9-11-24-21(13-15)32(2,30)31)26-22(29)27-12-10-19-20(27)14-25-28(19)17-7-5-16(23)6-8-17;1-3-4-19(16-9-11-24-15(2)13-16)26-22(29)27-12-10-20-21(27)14-25-28(20)18-7-5-17(23)6-8-18;1-3-19(15-5-4-6-18(13-15)31(2,29)30)25-22(28)26-12-11-20-21(26)14-24-27(20)17-9-7-16(23)8-10-17/h5-8,11-14,20,23H,3-4,9-10H2,1-2H3,(H,32,35);7-10,12-15,20H,4-6,11H2,1-3H3,(H,29,34)(H,27,30,31);5-9,11,13-14,18H,3-4,10,12H2,1-2H3,(H,26,29);5-9,11,13-14,19H,3-4,10,12H2,1-2H3,(H,26,29);4-10,13-14,19H,3,11-12H2,1-2H3,(H,25,28)/t20-,23?;15?,20-;18-;2*19-/m00000/s1.

What are the key properties of N-[(1S)-1-(3-fluoro-5-methylsulfonylphenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methyl-4-pyridinyl)butyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(3-methylsulfonylphenyl)propyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide?

N-[(1S)-1-(3-fluoro-5-methylsulfonylphenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methyl-4-pyridinyl)butyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(3-methylsulfonylphenyl)propyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide has a molecular weight of 2375.68 g/mol, XLogP of 20.96, 28 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(3-fluoro-5-methylsulfonylphenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methyl-4-pyridinyl)butyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(3-methylsulfonylphenyl)propyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6-dihydropyrrolo[2,3-d]pyrazole-4-carboxamide is sourced from PubChem (CID 159863483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).