1-(4-chlorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydropyrazolo[4,5-b]azepine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-5,6,7,8-tetrahydropyrazolo[4,5-b]azepine-4-carboxamide

C94H108ClF3N20O12S4 — CID 159875183

About 1-(4-chlorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydropyrazolo[4,5-b]azepine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-5,6,7,8-tetrahydropyrazolo[4,5-b]azepine-4-carboxamide

1-(4-chlorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydropyrazolo[4,5-b]azepine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-5,6,7,8-tetrahydropyrazolo[4,5-b]azepine-4-carboxamide (PubChem CID 159875183) has the molecular formula C94H108ClF3N20O12S4 and a molecular weight of 1930.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydropyrazolo[4,5-b]azepine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-5,6,7,8-tetrahydropyrazolo[4,5-b]azepine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydropyrazolo[4,5-b]azepine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-5,6,7,8-tetrahydropyrazolo[4,5-b]azepine-4-carboxamide
• PubChem CID: 159875183
• Molecular Formula: C94H108ClF3N20O12S4
• Molecular Weight: 1930.74 g/mol
• Exact Mass: 1928.70
• IUPAC Name: 1-(4-chlorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydropyrazolo[4,5-b]azepine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-5,6,7,8-tetrahydropyrazolo[4,5-b]azepine-4-carboxamide
• SMILES: CCC[C@H](NC(=O)N1CCCCc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1.CCC[C@H](NC(=O)N1CCCc2c1cnn2-c1ccc(Cl)cc1)c1ccnc(S(C)(=O)=O)c1.CCC[C@H](NC(=O)N1c2cnn(-c3ccc(F)cc3)c2CCC1C)c1ccnc(S(C)(=O)=O)c1.CC[C@H](NC(=O)N1CCCCc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1
• InChI: InChI=1S/2C24H28FN5O3S.C23H26ClN5O3S.C23H26FN5O3S/c1-4-5-20(17-12-13-26-23(14-17)34(3,32)33)28-24(31)29-16(2)6-11-21-22(29)15-27-30(21)19-9-7-18(25)8-10-19;1-3-6-20(17-12-13-26-23(15-17)34(2,32)33)28-24(31)29-14-5-4-7-21-22(29)16-27-30(21)19-10-8-18(25)9-11-19;1-3-5-19(16-11-12-25-22(14-16)33(2,31)32)27-23(30)28-13-4-6-20-21(28)15-26-29(20)18-9-7-17(24)8-10-18;1-3-19(16-11-12-25-22(14-16)33(2,31)32)27-23(30)28-13-5-4-6-20-21(28)15-26-29(20)18-9-7-17(24)8-10-18/h7-10,12-16,20H,4-6,11H2,1-3H3,(H,28,31);8-13,15-16,20H,3-7,14H2,1-2H3,(H,28,31);2*7-12,14-15,19H,3-6,13H2,1-2H3,(H,27,30)/t16?,20-;20-;2*19-/m0000/s1
• InChIKey: NSUSZADRQAGBIY-ADPJEKDDSA-N
• XLogP: 16.55
• TPSA: 388.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 23
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1930.74
LogP ≤ 5	16.55
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydropyrazolo[4,5-b]azepine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-5,6,7,8-tetrahydropyrazolo[4,5-b]azepine-4-carboxamide?

The IUPAC name of 1-(4-chlorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydropyrazolo[4,5-b]azepine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-5,6,7,8-tetrahydropyrazolo[4,5-b]azepine-4-carboxamide (CID 159875183) is 1-(4-chlorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydropyrazolo[4,5-b]azepine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-5,6,7,8-tetrahydropyrazolo[4,5-b]azepine-4-carboxamide.

What is the SMILES notation for 1-(4-chlorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydropyrazolo[4,5-b]azepine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-5,6,7,8-tetrahydropyrazolo[4,5-b]azepine-4-carboxamide?

The canonical SMILES for 1-(4-chlorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydropyrazolo[4,5-b]azepine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-5,6,7,8-tetrahydropyrazolo[4,5-b]azepine-4-carboxamide is CCC[C@H](NC(=O)N1CCCCc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1.CCC[C@H](NC(=O)N1CCCc2c1cnn2-c1ccc(Cl)cc1)c1ccnc(S(C)(=O)=O)c1.CCC[C@H](NC(=O)N1c2cnn(-c3ccc(F)cc3)c2CCC1C)c1ccnc(S(C)(=O)=O)c1.CC[C@H](NC(=O)N1CCCCc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1.

What is the InChIKey of 1-(4-chlorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydropyrazolo[4,5-b]azepine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-5,6,7,8-tetrahydropyrazolo[4,5-b]azepine-4-carboxamide?

The InChIKey is NSUSZADRQAGBIY-ADPJEKDDSA-N. The full InChI is InChI=1S/2C24H28FN5O3S.C23H26ClN5O3S.C23H26FN5O3S/c1-4-5-20(17-12-13-26-23(14-17)34(3,32)33)28-24(31)29-16(2)6-11-21-22(29)15-27-30(21)19-9-7-18(25)8-10-19;1-3-6-20(17-12-13-26-23(15-17)34(2,32)33)28-24(31)29-14-5-4-7-21-22(29)16-27-30(21)19-10-8-18(25)9-11-19;1-3-5-19(16-11-12-25-22(14-16)33(2,31)32)27-23(30)28-13-4-6-20-21(28)15-26-29(20)18-9-7-17(24)8-10-18;1-3-19(16-11-12-25-22(14-16)33(2,31)32)27-23(30)28-13-5-4-6-20-21(28)15-26-29(20)18-9-7-17(24)8-10-18/h7-10,12-16,20H,4-6,11H2,1-3H3,(H,28,31);8-13,15-16,20H,3-7,14H2,1-2H3,(H,28,31);2*7-12,14-15,19H,3-6,13H2,1-2H3,(H,27,30)/t16?,20-;20-;2*19-/m0000/s1.

What are the key properties of 1-(4-chlorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydropyrazolo[4,5-b]azepine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-5,6,7,8-tetrahydropyrazolo[4,5-b]azepine-4-carboxamide?

1-(4-chlorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydropyrazolo[4,5-b]azepine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-5,6,7,8-tetrahydropyrazolo[4,5-b]azepine-4-carboxamide has a molecular weight of 1930.74 g/mol, XLogP of 16.55, 23 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-5,6,7,8-tetrahydropyrazolo[4,5-b]azepine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-5,6,7,8-tetrahydropyrazolo[4,5-b]azepine-4-carboxamide is sourced from PubChem (CID 159875183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).