1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-2-pyridinyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide

C24H25F4N5O3S — CID 57406287

About 1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-2-pyridinyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-2-pyridinyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide (PubChem CID 57406287) has the molecular formula C24H25F4N5O3S and a molecular weight of 539.56 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-2-pyridinyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-2-pyridinyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
• PubChem CID: 57406287
• Molecular Formula: C24H25F4N5O3S
• Molecular Weight: 539.56 g/mol
• Exact Mass: 539.16
• IUPAC Name: 1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-2-pyridinyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
• SMILES: CCC[C@H](NC(=O)N1c2cnn(-c3ccc(F)cc3)c2CCC1C(F)(F)F)c1cccc(S(C)(=O)=O)n1
• InChI: InChI=1S/C24H25F4N5O3S/c1-3-5-17(18-6-4-7-22(30-18)37(2,35)36)31-23(34)32-20-14-29-33(16-10-8-15(25)9-11-16)19(20)12-13-21(32)24(26,27)28/h4,6-11,14,17,21H,3,5,12-13H2,1-2H3,(H,31,34)/t17-,21?/m0/s1
• InChIKey: KWQNHJBTXPXYGA-PBVYKCSPSA-N
• XLogP: 4.74
• TPSA: 97.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.56
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-2-pyridinyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide (CID 57406287) is 1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-2-pyridinyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide.

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

The canonical SMILES for 1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-2-pyridinyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide is CCC[C@H](NC(=O)N1c2cnn(-c3ccc(F)cc3)c2CCC1C(F)(F)F)c1cccc(S(C)(=O)=O)n1.

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

The InChIKey is KWQNHJBTXPXYGA-PBVYKCSPSA-N. The full InChI is InChI=1S/C24H25F4N5O3S/c1-3-5-17(18-6-4-7-22(30-18)37(2,35)36)31-23(34)32-20-14-29-33(16-10-8-15(25)9-11-16)19(20)12-13-21(32)24(26,27)28/h4,6-11,14,17,21H,3,5,12-13H2,1-2H3,(H,31,34)/t17-,21?/m0/s1.

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

1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-2-pyridinyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide has a molecular weight of 539.56 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-2-pyridinyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide is sourced from PubChem (CID 57406287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).