1-[2-[4-[(6-methoxy-1-methylindazol-7-yl)sulfamoyl]pyrazol-1-yl]-4-pyridinyl]-3-methylazetidine-3-carboxamide

C22H24N8O4S — CID 171918766

About 1-[2-[4-[(6-methoxy-1-methylindazol-7-yl)sulfamoyl]pyrazol-1-yl]-4-pyridinyl]-3-methylazetidine-3-carboxamide

1-[2-[4-[(6-methoxy-1-methylindazol-7-yl)sulfamoyl]pyrazol-1-yl]-4-pyridinyl]-3-methylazetidine-3-carboxamide (PubChem CID 171918766) has the molecular formula C22H24N8O4S and a molecular weight of 496.55 g/mol. Its IUPAC name is 1-[2-[4-[(6-methoxy-1-methylindazol-7-yl)sulfamoyl]pyrazol-1-yl]-4-pyridinyl]-3-methylazetidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[4-[(6-methoxy-1-methylindazol-7-yl)sulfamoyl]pyrazol-1-yl]-4-pyridinyl]-3-methylazetidine-3-carboxamide
• PubChem CID: 171918766
• Molecular Formula: C22H24N8O4S
• Molecular Weight: 496.55 g/mol
• Exact Mass: 496.16
• IUPAC Name: 1-[2-[4-[(6-methoxy-1-methylindazol-7-yl)sulfamoyl]pyrazol-1-yl]-4-pyridinyl]-3-methylazetidine-3-carboxamide
• SMILES: COc1ccc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2cc(N3CC(C)(C(N)=O)C3)ccn2)c1
• InChI: InChI=1S/C22H24N8O4S/c1-22(21(23)31)12-29(13-22)15-6-7-24-18(8-15)30-11-16(10-26-30)35(32,33)27-19-17(34-3)5-4-14-9-25-28(2)20(14)19/h4-11,27H,12-13H2,1-3H3,(H2,23,31)
• InChIKey: RCUCWKYMEVPTSO-UHFFFAOYSA-N
• XLogP: 1.27
• TPSA: 150.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.55
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(6-methoxy-1-methylindazol-7-yl)sulfamoyl]pyrazol-1-yl]-4-pyridinyl]-3-methylazetidine-3-carboxamide?

The IUPAC name of 1-[2-[4-[(6-methoxy-1-methylindazol-7-yl)sulfamoyl]pyrazol-1-yl]-4-pyridinyl]-3-methylazetidine-3-carboxamide (CID 171918766) is 1-[2-[4-[(6-methoxy-1-methylindazol-7-yl)sulfamoyl]pyrazol-1-yl]-4-pyridinyl]-3-methylazetidine-3-carboxamide.

What is the SMILES notation for 1-[2-[4-[(6-methoxy-1-methylindazol-7-yl)sulfamoyl]pyrazol-1-yl]-4-pyridinyl]-3-methylazetidine-3-carboxamide?

The canonical SMILES for 1-[2-[4-[(6-methoxy-1-methylindazol-7-yl)sulfamoyl]pyrazol-1-yl]-4-pyridinyl]-3-methylazetidine-3-carboxamide is COc1ccc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2cc(N3CC(C)(C(N)=O)C3)ccn2)c1.

What is the InChIKey of 1-[2-[4-[(6-methoxy-1-methylindazol-7-yl)sulfamoyl]pyrazol-1-yl]-4-pyridinyl]-3-methylazetidine-3-carboxamide?

The InChIKey is RCUCWKYMEVPTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O4S/c1-22(21(23)31)12-29(13-22)15-6-7-24-18(8-15)30-11-16(10-26-30)35(32,33)27-19-17(34-3)5-4-14-9-25-28(2)20(14)19/h4-11,27H,12-13H2,1-3H3,(H2,23,31).

What are the key properties of 1-[2-[4-[(6-methoxy-1-methylindazol-7-yl)sulfamoyl]pyrazol-1-yl]-4-pyridinyl]-3-methylazetidine-3-carboxamide?

1-[2-[4-[(6-methoxy-1-methylindazol-7-yl)sulfamoyl]pyrazol-1-yl]-4-pyridinyl]-3-methylazetidine-3-carboxamide has a molecular weight of 496.55 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-[(6-methoxy-1-methylindazol-7-yl)sulfamoyl]pyrazol-1-yl]-4-pyridinyl]-3-methylazetidine-3-carboxamide is sourced from PubChem (CID 171918766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).