1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxy-3-methylsulfonylphenyl)propyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;bis(1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide);bis(1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide)

C121H132F14N24O16S5 — CID 157247451

About 1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxy-3-methylsulfonylphenyl)propyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;bis(1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide);bis(1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide)

1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxy-3-methylsulfonylphenyl)propyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;bis(1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide);bis(1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide) (PubChem CID 157247451) has the molecular formula C121H132F14N24O16S5 and a molecular weight of 2604.85 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxy-3-methylsulfonylphenyl)propyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;bis(1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide);bis(1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide).

Molecular Properties

• Compound Name: 1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxy-3-methylsulfonylphenyl)propyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;bis(1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide);bis(1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide)
• PubChem CID: 157247451
• Molecular Formula: C121H132F14N24O16S5
• Molecular Weight: 2604.85 g/mol
• Exact Mass: 2602.86
• IUPAC Name: 1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxy-3-methylsulfonylphenyl)propyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;bis(1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide);bis(1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide)
• SMILES: CCC[C@H](NC(=O)N1CC(C(F)(F)F)Cc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1.CCC[C@H](NC(=O)N1CC(C(F)(F)F)Cc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1.CCC[C@H](NC(=O)N1c2cnn(-c3ccc(F)cc3)c2CCC1C)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)N1c2cnn(-c3ccc(F)cc3)c2CCC1C(F)(F)F)c1ccc(OC)c(S(C)(=O)=O)c1
• InChI: InChI=1S/C25H26F4N4O4S.2C24H25F4N5O3S.2C24H28FN5O3S/c1-4-18(15-5-11-21(37-2)22(13-15)38(3,35)36)31-24(34)32-20-14-30-33(17-8-6-16(26)7-9-17)19(20)10-12-23(32)25(27,28)29;2*1-3-4-19(15-9-10-29-22(11-15)37(2,35)36)31-23(34)32-14-16(24(26,27)28)12-20-21(32)13-30-33(20)18-7-5-17(25)6-8-18;2*1-4-5-20(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/h5-9,11,13-14,18,23H,4,10,12H2,1-3H3,(H,31,34);2*5-11,13,16,19H,3-4,12,14H2,1-2H3,(H,31,34);2*7-10,12-16,20H,4-6,11H2,1-3H3,(H,28,31)/t18-,23?;2*16?,19-;2*16?,20-/m00000/s1
• InChIKey: AVYFRTWACVGUMJ-MESWHABHSA-N
• XLogP: 22.58
• TPSA: 482.29 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 30
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2604.85
LogP ≤ 5	22.58
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

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

The IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxy-3-methylsulfonylphenyl)propyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;bis(1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide);bis(1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide) (CID 157247451) is 1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxy-3-methylsulfonylphenyl)propyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;bis(1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide);bis(1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide).

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

The canonical SMILES for 1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxy-3-methylsulfonylphenyl)propyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;bis(1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide);bis(1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide) is CCC[C@H](NC(=O)N1CC(C(F)(F)F)Cc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1.CCC[C@H](NC(=O)N1CC(C(F)(F)F)Cc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1.CCC[C@H](NC(=O)N1c2cnn(-c3ccc(F)cc3)c2CCC1C)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)N1c2cnn(-c3ccc(F)cc3)c2CCC1C(F)(F)F)c1ccc(OC)c(S(C)(=O)=O)c1.

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

The InChIKey is AVYFRTWACVGUMJ-MESWHABHSA-N. The full InChI is InChI=1S/C25H26F4N4O4S.2C24H25F4N5O3S.2C24H28FN5O3S/c1-4-18(15-5-11-21(37-2)22(13-15)38(3,35)36)31-24(34)32-20-14-30-33(17-8-6-16(26)7-9-17)19(20)10-12-23(32)25(27,28)29;2*1-3-4-19(15-9-10-29-22(11-15)37(2,35)36)31-23(34)32-14-16(24(26,27)28)12-20-21(32)13-30-33(20)18-7-5-17(25)6-8-18;2*1-4-5-20(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/h5-9,11,13-14,18,23H,4,10,12H2,1-3H3,(H,31,34);2*5-11,13,16,19H,3-4,12,14H2,1-2H3,(H,31,34);2*7-10,12-16,20H,4-6,11H2,1-3H3,(H,28,31)/t18-,23?;2*16?,19-;2*16?,20-/m00000/s1.

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

1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxy-3-methylsulfonylphenyl)propyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;bis(1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide);bis(1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide) has a molecular weight of 2604.85 g/mol, XLogP of 22.58, 30 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxy-3-methylsulfonylphenyl)propyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;bis(1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide);bis(1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide) is sourced from PubChem (CID 157247451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).