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

C29H30N4O4 — CID 26219564

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

5-(1-benzofuran-2-carbonyl)-N-cyclopentyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26219564) has the molecular formula C29H30N4O4 and a molecular weight of 498.58 g/mol. Its IUPAC name is 5-(1-benzofuran-2-carbonyl)-N-cyclopentyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(1-benzofuran-2-carbonyl)-N-cyclopentyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 26219564
• Molecular Formula: C29H30N4O4
• Molecular Weight: 498.58 g/mol
• Exact Mass: 498.23
• IUPAC Name: 5-(1-benzofuran-2-carbonyl)-N-cyclopentyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: COc1ccc(Cn2nc(C(=O)NC3CCCC3)c3c2CCN(C(=O)c2cc4ccccc4o2)C3)cc1
• InChI: InChI=1S/C29H30N4O4/c1-36-22-12-10-19(11-13-22)17-33-24-14-15-32(29(35)26-16-20-6-2-5-9-25(20)37-26)18-23(24)27(31-33)28(34)30-21-7-3-4-8-21/h2,5-6,9-13,16,21H,3-4,7-8,14-15,17-18H2,1H3,(H,30,34)
• InChIKey: MHIRPTWYIKKEAF-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 89.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.58
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-(1-benzofuran-2-carbonyl)-N-cyclopentyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26219564) is 5-(1-benzofuran-2-carbonyl)-N-cyclopentyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

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

The canonical SMILES for 5-(1-benzofuran-2-carbonyl)-N-cyclopentyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is COc1ccc(Cn2nc(C(=O)NC3CCCC3)c3c2CCN(C(=O)c2cc4ccccc4o2)C3)cc1.

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

The InChIKey is MHIRPTWYIKKEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O4/c1-36-22-12-10-19(11-13-22)17-33-24-14-15-32(29(35)26-16-20-6-2-5-9-25(20)37-26)18-23(24)27(31-33)28(34)30-21-7-3-4-8-21/h2,5-6,9-13,16,21H,3-4,7-8,14-15,17-18H2,1H3,(H,30,34).

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

5-(1-benzofuran-2-carbonyl)-N-cyclopentyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 498.58 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1-benzofuran-2-carbonyl)-N-cyclopentyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26219564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).