N-(furan-2-ylmethyl)-5-[2-(3-methylphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C21H22N4O3 — CID 42876342

About N-(furan-2-ylmethyl)-5-[2-(3-methylphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

N-(furan-2-ylmethyl)-5-[2-(3-methylphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 42876342) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-[2-(3-methylphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-5-[2-(3-methylphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 42876342
• Molecular Formula: C21H22N4O3
• Molecular Weight: 378.43 g/mol
• Exact Mass: 378.17
• IUPAC Name: N-(furan-2-ylmethyl)-5-[2-(3-methylphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: Cc1cccc(CC(=O)N2CCc3[nH]nc(C(=O)NCc4ccco4)c3C2)c1
• InChI: InChI=1S/C21H22N4O3/c1-14-4-2-5-15(10-14)11-19(26)25-8-7-18-17(13-25)20(24-23-18)21(27)22-12-16-6-3-9-28-16/h2-6,9-10H,7-8,11-13H2,1H3,(H,22,27)(H,23,24)
• InChIKey: FOKRBBSJMAQZTF-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 91.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.43
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-[2-(3-methylphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?

The IUPAC name of N-(furan-2-ylmethyl)-5-[2-(3-methylphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 42876342) is N-(furan-2-ylmethyl)-5-[2-(3-methylphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

What is the SMILES notation for N-(furan-2-ylmethyl)-5-[2-(3-methylphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for N-(furan-2-ylmethyl)-5-[2-(3-methylphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is Cc1cccc(CC(=O)N2CCc3[nH]nc(C(=O)NCc4ccco4)c3C2)c1.

What is the InChIKey of N-(furan-2-ylmethyl)-5-[2-(3-methylphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?

The InChIKey is FOKRBBSJMAQZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-14-4-2-5-15(10-14)11-19(26)25-8-7-18-17(13-25)20(24-23-18)21(27)22-12-16-6-3-9-28-16/h2-6,9-10H,7-8,11-13H2,1H3,(H,22,27)(H,23,24).

What are the key properties of N-(furan-2-ylmethyl)-5-[2-(3-methylphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?

N-(furan-2-ylmethyl)-5-[2-(3-methylphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-5-[2-(3-methylphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 42876342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).