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

C29H34N4O3 — CID 26138101

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

N-cyclopentyl-5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26138101) has the molecular formula C29H34N4O3 and a molecular weight of 486.62 g/mol. Its IUPAC name is N-cyclopentyl-5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopentyl-5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 26138101
• Molecular Formula: C29H34N4O3
• Molecular Weight: 486.62 g/mol
• Exact Mass: 486.26
• IUPAC Name: N-cyclopentyl-5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: COc1ccc(Cn2nc(C(=O)NC3CCCC3)c3c2CCN(Cc2ccc4c(c2)CCO4)C3)cc1
• InChI: InChI=1S/C29H34N4O3/c1-35-24-9-6-20(7-10-24)18-33-26-12-14-32(17-21-8-11-27-22(16-21)13-15-36-27)19-25(26)28(31-33)29(34)30-23-4-2-3-5-23/h6-11,16,23H,2-5,12-15,17-19H2,1H3,(H,30,34)
• InChIKey: FIHVUWFIGMLGSB-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 68.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.62
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-cyclopentyl-5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26138101) is N-cyclopentyl-5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

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

The canonical SMILES for N-cyclopentyl-5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is COc1ccc(Cn2nc(C(=O)NC3CCCC3)c3c2CCN(Cc2ccc4c(c2)CCO4)C3)cc1.

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

The InChIKey is FIHVUWFIGMLGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O3/c1-35-24-9-6-20(7-10-24)18-33-26-12-14-32(17-21-8-11-27-22(16-21)13-15-36-27)19-25(26)28(31-33)29(34)30-23-4-2-3-5-23/h6-11,16,23H,2-5,12-15,17-19H2,1H3,(H,30,34).

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

N-cyclopentyl-5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 486.62 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26138101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).