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

C21H22N4O3 — CID 53066513

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

5-(furan-2-carbonyl)-1-methyl-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 53066513) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 5-(furan-2-carbonyl)-1-methyl-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(furan-2-carbonyl)-1-methyl-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 53066513
• Molecular Formula: C21H22N4O3
• Molecular Weight: 378.43 g/mol
• Exact Mass: 378.17
• IUPAC Name: 5-(furan-2-carbonyl)-1-methyl-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: Cc1cccc(CNC(=O)c2nn(C)c3c2CN(C(=O)c2ccco2)CC3)c1
• InChI: InChI=1S/C21H22N4O3/c1-14-5-3-6-15(11-14)12-22-20(26)19-16-13-25(9-8-17(16)24(2)23-19)21(27)18-7-4-10-28-18/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,22,26)
• InChIKey: YHFOSHCLXFXNKZ-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 80.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.43
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-(furan-2-carbonyl)-1-methyl-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 53066513) is 5-(furan-2-carbonyl)-1-methyl-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

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

The canonical SMILES for 5-(furan-2-carbonyl)-1-methyl-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cc1cccc(CNC(=O)c2nn(C)c3c2CN(C(=O)c2ccco2)CC3)c1.

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

The InChIKey is YHFOSHCLXFXNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-14-5-3-6-15(11-14)12-22-20(26)19-16-13-25(9-8-17(16)24(2)23-19)21(27)18-7-4-10-28-18/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,22,26).

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

5-(furan-2-carbonyl)-1-methyl-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(furan-2-carbonyl)-1-methyl-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 53066513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).