1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-N,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C28H24ClN7O — CID 146000820

About 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-N,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-N,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 146000820) has the molecular formula C28H24ClN7O and a molecular weight of 510.00 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-N,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-N,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
• PubChem CID: 146000820
• Molecular Formula: C28H24ClN7O
• Molecular Weight: 510.00 g/mol
• Exact Mass: 509.17
• IUPAC Name: 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-N,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
• SMILES: O=C(Nc1ccccc1)N1CCc2c(c(-c3ccccc3)nn2Cc2cn(-c3ccc(Cl)cc3)nn2)C1
• InChI: InChI=1S/C28H24ClN7O/c29-21-11-13-24(14-12-21)35-17-23(31-33-35)18-36-26-15-16-34(28(37)30-22-9-5-2-6-10-22)19-25(26)27(32-36)20-7-3-1-4-8-20/h1-14,17H,15-16,18-19H2,(H,30,37)
• InChIKey: FFNPZFLMDZPCRL-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 80.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.00
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-N,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?

The IUPAC name of 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-N,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 146000820) is 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-N,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

What is the SMILES notation for 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-N,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?

The canonical SMILES for 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-N,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is O=C(Nc1ccccc1)N1CCc2c(c(-c3ccccc3)nn2Cc2cn(-c3ccc(Cl)cc3)nn2)C1.

What is the InChIKey of 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-N,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?

The InChIKey is FFNPZFLMDZPCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClN7O/c29-21-11-13-24(14-12-21)35-17-23(31-33-35)18-36-26-15-16-34(28(37)30-22-9-5-2-6-10-22)19-25(26)27(32-36)20-7-3-1-4-8-20/h1-14,17H,15-16,18-19H2,(H,30,37).

What are the key properties of 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-N,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?

1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-N,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 510.00 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-N,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 146000820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).