5-[(2-methylphenyl)methyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C29H31N5O — CID 26140977

About 5-[(2-methylphenyl)methyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

5-[(2-methylphenyl)methyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26140977) has the molecular formula C29H31N5O and a molecular weight of 465.60 g/mol. Its IUPAC name is 5-[(2-methylphenyl)methyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(2-methylphenyl)methyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 26140977
• Molecular Formula: C29H31N5O
• Molecular Weight: 465.60 g/mol
• Exact Mass: 465.25
• IUPAC Name: 5-[(2-methylphenyl)methyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: Cc1ccccc1CN1CCc2c(c(C(=O)NCc3ccccn3)nn2CCc2ccccc2)C1
• InChI: InChI=1S/C29H31N5O/c1-22-9-5-6-12-24(22)20-33-17-15-27-26(21-33)28(29(35)31-19-25-13-7-8-16-30-25)32-34(27)18-14-23-10-3-2-4-11-23/h2-13,16H,14-15,17-21H2,1H3,(H,31,35)
• InChIKey: UGQWCPVASBOZOH-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.60
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylphenyl)methyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The IUPAC name of 5-[(2-methylphenyl)methyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26140977) is 5-[(2-methylphenyl)methyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 5-[(2-methylphenyl)methyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for 5-[(2-methylphenyl)methyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cc1ccccc1CN1CCc2c(c(C(=O)NCc3ccccn3)nn2CCc2ccccc2)C1.

What is the InChIKey of 5-[(2-methylphenyl)methyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The InChIKey is UGQWCPVASBOZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O/c1-22-9-5-6-12-24(22)20-33-17-15-27-26(21-33)28(29(35)31-19-25-13-7-8-16-30-25)32-34(27)18-14-23-10-3-2-4-11-23/h2-13,16H,14-15,17-21H2,1H3,(H,31,35).

What are the key properties of 5-[(2-methylphenyl)methyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

5-[(2-methylphenyl)methyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 465.60 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-methylphenyl)methyl]-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26140977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).