N-(3-cyano-4-fluorophenyl)-2-[[3,3-difluoro-1-[[formyl(methyl)amino]methyl]cyclobutyl]methyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C23H25F3N6O2 — CID 166657626

About N-(3-cyano-4-fluorophenyl)-2-[[3,3-difluoro-1-[[formyl(methyl)amino]methyl]cyclobutyl]methyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

N-(3-cyano-4-fluorophenyl)-2-[[3,3-difluoro-1-[[formyl(methyl)amino]methyl]cyclobutyl]methyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 166657626) has the molecular formula C23H25F3N6O2 and a molecular weight of 474.49 g/mol. Its IUPAC name is N-(3-cyano-4-fluorophenyl)-2-[[3,3-difluoro-1-[[formyl(methyl)amino]methyl]cyclobutyl]methyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-(3-cyano-4-fluorophenyl)-2-[[3,3-difluoro-1-[[formyl(methyl)amino]methyl]cyclobutyl]methyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
• PubChem CID: 166657626
• Molecular Formula: C23H25F3N6O2
• Molecular Weight: 474.49 g/mol
• Exact Mass: 474.20
• IUPAC Name: N-(3-cyano-4-fluorophenyl)-2-[[3,3-difluoro-1-[[formyl(methyl)amino]methyl]cyclobutyl]methyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
• SMILES: Cc1c2c(nn1CC1(CN(C)C=O)CC(F)(F)C1)CCN(C(=O)Nc1ccc(F)c(C#N)c1)C2
• InChI: InChI=1S/C23H25F3N6O2/c1-15-18-9-31(21(34)28-17-3-4-19(24)16(7-17)8-27)6-5-20(18)29-32(15)13-22(12-30(2)14-33)10-23(25,26)11-22/h3-4,7,14H,5-6,9-13H2,1-2H3,(H,28,34)
• InChIKey: HRIYDVZEIIFRSO-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 94.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.49
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluorophenyl)-2-[[3,3-difluoro-1-[[formyl(methyl)amino]methyl]cyclobutyl]methyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?

The IUPAC name of N-(3-cyano-4-fluorophenyl)-2-[[3,3-difluoro-1-[[formyl(methyl)amino]methyl]cyclobutyl]methyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 166657626) is N-(3-cyano-4-fluorophenyl)-2-[[3,3-difluoro-1-[[formyl(methyl)amino]methyl]cyclobutyl]methyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

What is the SMILES notation for N-(3-cyano-4-fluorophenyl)-2-[[3,3-difluoro-1-[[formyl(methyl)amino]methyl]cyclobutyl]methyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?

The canonical SMILES for N-(3-cyano-4-fluorophenyl)-2-[[3,3-difluoro-1-[[formyl(methyl)amino]methyl]cyclobutyl]methyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is Cc1c2c(nn1CC1(CN(C)C=O)CC(F)(F)C1)CCN(C(=O)Nc1ccc(F)c(C#N)c1)C2.

What is the InChIKey of N-(3-cyano-4-fluorophenyl)-2-[[3,3-difluoro-1-[[formyl(methyl)amino]methyl]cyclobutyl]methyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?

The InChIKey is HRIYDVZEIIFRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N6O2/c1-15-18-9-31(21(34)28-17-3-4-19(24)16(7-17)8-27)6-5-20(18)29-32(15)13-22(12-30(2)14-33)10-23(25,26)11-22/h3-4,7,14H,5-6,9-13H2,1-2H3,(H,28,34).

What are the key properties of N-(3-cyano-4-fluorophenyl)-2-[[3,3-difluoro-1-[[formyl(methyl)amino]methyl]cyclobutyl]methyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?

N-(3-cyano-4-fluorophenyl)-2-[[3,3-difluoro-1-[[formyl(methyl)amino]methyl]cyclobutyl]methyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 474.49 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-cyano-4-fluorophenyl)-2-[[3,3-difluoro-1-[[formyl(methyl)amino]methyl]cyclobutyl]methyl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 166657626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).