1-(2-hydroxyethyl)-5-[(5-methylfuran-2-yl)methyl]-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C23H28N4O3 — CID 45164988

About 1-(2-hydroxyethyl)-5-[(5-methylfuran-2-yl)methyl]-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

1-(2-hydroxyethyl)-5-[(5-methylfuran-2-yl)methyl]-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 45164988) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-5-[(5-methylfuran-2-yl)methyl]-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2-hydroxyethyl)-5-[(5-methylfuran-2-yl)methyl]-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 45164988
• Molecular Formula: C23H28N4O3
• Molecular Weight: 408.50 g/mol
• Exact Mass: 408.22
• IUPAC Name: 1-(2-hydroxyethyl)-5-[(5-methylfuran-2-yl)methyl]-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: Cc1ccc(CN2CCc3c(c(C(=O)NC(C)c4ccccc4)nn3CCO)C2)o1
• InChI: InChI=1S/C23H28N4O3/c1-16-8-9-19(30-16)14-26-11-10-21-20(15-26)22(25-27(21)12-13-28)23(29)24-17(2)18-6-4-3-5-7-18/h3-9,17,28H,10-15H2,1-2H3,(H,24,29)
• InChIKey: NKPMNNGIZHMFMG-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 83.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.50
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-(2-hydroxyethyl)-5-[(5-methylfuran-2-yl)methyl]-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 45164988) is 1-(2-hydroxyethyl)-5-[(5-methylfuran-2-yl)methyl]-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

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

The canonical SMILES for 1-(2-hydroxyethyl)-5-[(5-methylfuran-2-yl)methyl]-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cc1ccc(CN2CCc3c(c(C(=O)NC(C)c4ccccc4)nn3CCO)C2)o1.

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

The InChIKey is NKPMNNGIZHMFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-16-8-9-19(30-16)14-26-11-10-21-20(15-26)22(25-27(21)12-13-28)23(29)24-17(2)18-6-4-3-5-7-18/h3-9,17,28H,10-15H2,1-2H3,(H,24,29).

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

1-(2-hydroxyethyl)-5-[(5-methylfuran-2-yl)methyl]-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-hydroxyethyl)-5-[(5-methylfuran-2-yl)methyl]-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 45164988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).