N-[[5-[1-[2-hydroxy-3-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]propyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide

C31H38F3N7O5S2 — CID 25005151

About N-[[5-[1-[2-hydroxy-3-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]propyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide

N-[[5-[1-[2-hydroxy-3-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]propyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 25005151) has the molecular formula C31H38F3N7O5S2 and a molecular weight of 709.82 g/mol. Its IUPAC name is N-[[5-[1-[2-hydroxy-3-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]propyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[[5-[1-[2-hydroxy-3-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]propyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 25005151
• Molecular Formula: C31H38F3N7O5S2
• Molecular Weight: 709.82 g/mol
• Exact Mass: 709.23
• IUPAC Name: N-[[5-[1-[2-hydroxy-3-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]propyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
• SMILES: CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(CNC(=O)c4cncs4)c3)nn2CC(O)CN2CCC(N3CCCC3=O)CC2)C1
• InChI: InChI=1S/C31H38F3N7O5S2/c1-48(45,46)39-12-8-26-24(18-39)29(20-4-5-25(31(32,33)34)21(13-20)14-36-30(44)27-15-35-19-47-27)37-41(26)17-23(42)16-38-10-6-22(7-11-38)40-9-2-3-28(40)43/h4-5,13,15,19,22-23,42H,2-3,6-12,14,16-18H2,1H3,(H,36,44)
• InChIKey: KTFROVUUWXQPOU-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 140.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	709.82
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[[5-[1-[2-hydroxy-3-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]propyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[[5-[1-[2-hydroxy-3-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]propyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (CID 25005151) is N-[[5-[1-[2-hydroxy-3-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]propyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[[5-[1-[2-hydroxy-3-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]propyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[[5-[1-[2-hydroxy-3-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]propyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide is CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(CNC(=O)c4cncs4)c3)nn2CC(O)CN2CCC(N3CCCC3=O)CC2)C1.

What is the InChIKey of N-[[5-[1-[2-hydroxy-3-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]propyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?

The InChIKey is KTFROVUUWXQPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38F3N7O5S2/c1-48(45,46)39-12-8-26-24(18-39)29(20-4-5-25(31(32,33)34)21(13-20)14-36-30(44)27-15-35-19-47-27)37-41(26)17-23(42)16-38-10-6-22(7-11-38)40-9-2-3-28(40)43/h4-5,13,15,19,22-23,42H,2-3,6-12,14,16-18H2,1H3,(H,36,44).

What are the key properties of N-[[5-[1-[2-hydroxy-3-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]propyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?

N-[[5-[1-[2-hydroxy-3-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]propyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 709.82 g/mol, XLogP of 2.72, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[1-[2-hydroxy-3-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]propyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 25005151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).