2-(5-cyano-2-pyridinyl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridine-3-carboxamide

C29H29F3N6O4 — CID 146608212

About 2-(5-cyano-2-pyridinyl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridine-3-carboxamide

2-(5-cyano-2-pyridinyl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 146608212) has the molecular formula C29H29F3N6O4 and a molecular weight of 582.58 g/mol. Its IUPAC name is 2-(5-cyano-2-pyridinyl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(5-cyano-2-pyridinyl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 146608212
• Molecular Formula: C29H29F3N6O4
• Molecular Weight: 582.58 g/mol
• Exact Mass: 582.22
• IUPAC Name: 2-(5-cyano-2-pyridinyl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: N#Cc1ccc(-n2nc3c(c2C(=O)NCC2(CO)CCC2)C(=O)NC(CCc2cccc(OCC(F)(F)F)c2)C3)nc1
• InChI: InChI=1S/C29H29F3N6O4/c30-29(31,32)17-42-21-4-1-3-18(11-21)5-7-20-12-22-24(26(40)36-20)25(27(41)35-15-28(16-39)9-2-10-28)38(37-22)23-8-6-19(13-33)14-34-23/h1,3-4,6,8,11,14,20,39H,2,5,7,9-10,12,15-17H2,(H,35,41)(H,36,40)
• InChIKey: VHODPUDHVYBRIB-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 142.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	582.58
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-2-pyridinyl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The IUPAC name of 2-(5-cyano-2-pyridinyl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 146608212) is 2-(5-cyano-2-pyridinyl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 2-(5-cyano-2-pyridinyl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for 2-(5-cyano-2-pyridinyl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridine-3-carboxamide is N#Cc1ccc(-n2nc3c(c2C(=O)NCC2(CO)CCC2)C(=O)NC(CCc2cccc(OCC(F)(F)F)c2)C3)nc1.

What is the InChIKey of 2-(5-cyano-2-pyridinyl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The InChIKey is VHODPUDHVYBRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F3N6O4/c30-29(31,32)17-42-21-4-1-3-18(11-21)5-7-20-12-22-24(26(40)36-20)25(27(41)35-15-28(16-39)9-2-10-28)38(37-22)23-8-6-19(13-33)14-34-23/h1,3-4,6,8,11,14,20,39H,2,5,7,9-10,12,15-17H2,(H,35,41)(H,36,40).

What are the key properties of 2-(5-cyano-2-pyridinyl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridine-3-carboxamide?

2-(5-cyano-2-pyridinyl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 582.58 g/mol, XLogP of 3.26, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-cyano-2-pyridinyl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 146608212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).