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

C30H31N5O4S — CID 155523488

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

1-(2-hydroxyethyl)-5-[(1-methylsulfonylindol-3-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 155523488) has the molecular formula C30H31N5O4S and a molecular weight of 557.68 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-5-[(1-methylsulfonylindol-3-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2-hydroxyethyl)-5-[(1-methylsulfonylindol-3-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 155523488
• Molecular Formula: C30H31N5O4S
• Molecular Weight: 557.68 g/mol
• Exact Mass: 557.21
• IUPAC Name: 1-(2-hydroxyethyl)-5-[(1-methylsulfonylindol-3-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: CS(=O)(=O)n1cc(CN2CCc3c(c(C(=O)NCc4cccc5ccccc45)nn3CCO)C2)c2ccccc21
• InChI: InChI=1S/C30H31N5O4S/c1-40(38,39)35-19-23(25-11-4-5-12-28(25)35)18-33-14-13-27-26(20-33)29(32-34(27)15-16-36)30(37)31-17-22-9-6-8-21-7-2-3-10-24(21)22/h2-12,19,36H,13-18,20H2,1H3,(H,31,37)
• InChIKey: CLYGDXBKKUJCEX-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 109.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.68
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-(2-hydroxyethyl)-5-[(1-methylsulfonylindol-3-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 155523488) is 1-(2-hydroxyethyl)-5-[(1-methylsulfonylindol-3-yl)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-[(1-methylsulfonylindol-3-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for 1-(2-hydroxyethyl)-5-[(1-methylsulfonylindol-3-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CS(=O)(=O)n1cc(CN2CCc3c(c(C(=O)NCc4cccc5ccccc45)nn3CCO)C2)c2ccccc21.

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

The InChIKey is CLYGDXBKKUJCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O4S/c1-40(38,39)35-19-23(25-11-4-5-12-28(25)35)18-33-14-13-27-26(20-33)29(32-34(27)15-16-36)30(37)31-17-22-9-6-8-21-7-2-3-10-24(21)22/h2-12,19,36H,13-18,20H2,1H3,(H,31,37).

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

1-(2-hydroxyethyl)-5-[(1-methylsulfonylindol-3-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 557.68 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-hydroxyethyl)-5-[(1-methylsulfonylindol-3-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 155523488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).