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

C26H31N5O3 — CID 26228576

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

N-[(4-methoxyphenyl)methyl]-5-(3-methylbutanoyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26228576) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-5-(3-methylbutanoyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(4-methoxyphenyl)methyl]-5-(3-methylbutanoyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 26228576
• Molecular Formula: C26H31N5O3
• Molecular Weight: 461.57 g/mol
• Exact Mass: 461.24
• IUPAC Name: N-[(4-methoxyphenyl)methyl]-5-(3-methylbutanoyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: COc1ccc(CNC(=O)c2nn(Cc3ccccn3)c3c2CN(C(=O)CC(C)C)CC3)cc1
• InChI: InChI=1S/C26H31N5O3/c1-18(2)14-24(32)30-13-11-23-22(17-30)25(29-31(23)16-20-6-4-5-12-27-20)26(33)28-15-19-7-9-21(34-3)10-8-19/h4-10,12,18H,11,13-17H2,1-3H3,(H,28,33)
• InChIKey: DXCQAEQDJGKJQU-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 89.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.57
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(4-methoxyphenyl)methyl]-5-(3-methylbutanoyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26228576) is N-[(4-methoxyphenyl)methyl]-5-(3-methylbutanoyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

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

The canonical SMILES for N-[(4-methoxyphenyl)methyl]-5-(3-methylbutanoyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is COc1ccc(CNC(=O)c2nn(Cc3ccccn3)c3c2CN(C(=O)CC(C)C)CC3)cc1.

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

The InChIKey is DXCQAEQDJGKJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3/c1-18(2)14-24(32)30-13-11-23-22(17-30)25(29-31(23)16-20-6-4-5-12-27-20)26(33)28-15-19-7-9-21(34-3)10-8-19/h4-10,12,18H,11,13-17H2,1-3H3,(H,28,33).

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

N-[(4-methoxyphenyl)methyl]-5-(3-methylbutanoyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 461.57 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-methoxyphenyl)methyl]-5-(3-methylbutanoyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26228576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).