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

C28H30N4O2 — CID 118933278

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

1-(2-hydroxyethyl)-5-[(4-methylphenyl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 118933278) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-5-[(4-methylphenyl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2-hydroxyethyl)-5-[(4-methylphenyl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 118933278
• Molecular Formula: C28H30N4O2
• Molecular Weight: 454.57 g/mol
• Exact Mass: 454.24
• IUPAC Name: 1-(2-hydroxyethyl)-5-[(4-methylphenyl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: Cc1ccc(CN2CCc3c(c(C(=O)NCc4cccc5ccccc45)nn3CCO)C2)cc1
• InChI: InChI=1S/C28H30N4O2/c1-20-9-11-21(12-10-20)18-31-14-13-26-25(19-31)27(30-32(26)15-16-33)28(34)29-17-23-7-4-6-22-5-2-3-8-24(22)23/h2-12,33H,13-19H2,1H3,(H,29,34)
• InChIKey: XSEUBZWQYZOGQS-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 70.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.57
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-(2-hydroxyethyl)-5-[(4-methylphenyl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 118933278) is 1-(2-hydroxyethyl)-5-[(4-methylphenyl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

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

The canonical SMILES for 1-(2-hydroxyethyl)-5-[(4-methylphenyl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cc1ccc(CN2CCc3c(c(C(=O)NCc4cccc5ccccc45)nn3CCO)C2)cc1.

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

The InChIKey is XSEUBZWQYZOGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c1-20-9-11-21(12-10-20)18-31-14-13-26-25(19-31)27(30-32(26)15-16-33)28(34)29-17-23-7-4-6-22-5-2-3-8-24(22)23/h2-12,33H,13-19H2,1H3,(H,29,34).

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

1-(2-hydroxyethyl)-5-[(4-methylphenyl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 454.57 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-hydroxyethyl)-5-[(4-methylphenyl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 118933278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).