N-benzyl-1-methyl-5-(quinoxalin-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C24H24N6O — CID 26138042

About N-benzyl-1-methyl-5-(quinoxalin-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-benzyl-1-methyl-5-(quinoxalin-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26138042) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is N-benzyl-1-methyl-5-(quinoxalin-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-benzyl-1-methyl-5-(quinoxalin-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 26138042
• Molecular Formula: C24H24N6O
• Molecular Weight: 412.50 g/mol
• Exact Mass: 412.20
• IUPAC Name: N-benzyl-1-methyl-5-(quinoxalin-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: Cn1nc(C(=O)NCc2ccccc2)c2c1CCN(Cc1cccc3nccnc13)C2
• InChI: InChI=1S/C24H24N6O/c1-29-21-10-13-30(15-18-8-5-9-20-22(18)26-12-11-25-20)16-19(21)23(28-29)24(31)27-14-17-6-3-2-4-7-17/h2-9,11-12H,10,13-16H2,1H3,(H,27,31)
• InChIKey: JBUAXNKVFICJBL-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.50
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-benzyl-1-methyl-5-(quinoxalin-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26138042) is N-benzyl-1-methyl-5-(quinoxalin-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

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

The canonical SMILES for N-benzyl-1-methyl-5-(quinoxalin-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cn1nc(C(=O)NCc2ccccc2)c2c1CCN(Cc1cccc3nccnc13)C2.

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

The InChIKey is JBUAXNKVFICJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-29-21-10-13-30(15-18-8-5-9-20-22(18)26-12-11-25-20)16-19(21)23(28-29)24(31)27-14-17-6-3-2-4-7-17/h2-9,11-12H,10,13-16H2,1H3,(H,27,31).

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

N-benzyl-1-methyl-5-(quinoxalin-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 412.50 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-1-methyl-5-(quinoxalin-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26138042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).