methyl 6-[4-[(6-methoxy-1-methylindazol-7-yl)sulfamoyl]pyrazol-1-yl]-4-methylpyridine-3-carboxylate

C20H20N6O5S — CID 170969296

About methyl 6-[4-[(6-methoxy-1-methylindazol-7-yl)sulfamoyl]pyrazol-1-yl]-4-methylpyridine-3-carboxylate

methyl 6-[4-[(6-methoxy-1-methylindazol-7-yl)sulfamoyl]pyrazol-1-yl]-4-methylpyridine-3-carboxylate (PubChem CID 170969296) has the molecular formula C20H20N6O5S and a molecular weight of 456.48 g/mol. Its IUPAC name is methyl 6-[4-[(6-methoxy-1-methylindazol-7-yl)sulfamoyl]pyrazol-1-yl]-4-methylpyridine-3-carboxylate.

Molecular Properties

• Compound Name: methyl 6-[4-[(6-methoxy-1-methylindazol-7-yl)sulfamoyl]pyrazol-1-yl]-4-methylpyridine-3-carboxylate
• PubChem CID: 170969296
• Molecular Formula: C20H20N6O5S
• Molecular Weight: 456.48 g/mol
• Exact Mass: 456.12
• IUPAC Name: methyl 6-[4-[(6-methoxy-1-methylindazol-7-yl)sulfamoyl]pyrazol-1-yl]-4-methylpyridine-3-carboxylate
• SMILES: COC(=O)c1cnc(-n2cc(S(=O)(=O)Nc3c(OC)ccc4cnn(C)c34)cn2)cc1C
• InChI: InChI=1S/C20H20N6O5S/c1-12-7-17(21-10-15(12)20(27)31-4)26-11-14(9-23-26)32(28,29)24-18-16(30-3)6-5-13-8-22-25(2)19(13)18/h5-11,24H,1-4H3
• InChIKey: BMRMFOLKKYNCII-UHFFFAOYSA-N
• XLogP: 2.06
• TPSA: 130.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.48
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of methyl 6-[4-[(6-methoxy-1-methylindazol-7-yl)sulfamoyl]pyrazol-1-yl]-4-methylpyridine-3-carboxylate?

The IUPAC name of methyl 6-[4-[(6-methoxy-1-methylindazol-7-yl)sulfamoyl]pyrazol-1-yl]-4-methylpyridine-3-carboxylate (CID 170969296) is methyl 6-[4-[(6-methoxy-1-methylindazol-7-yl)sulfamoyl]pyrazol-1-yl]-4-methylpyridine-3-carboxylate.

What is the SMILES notation for methyl 6-[4-[(6-methoxy-1-methylindazol-7-yl)sulfamoyl]pyrazol-1-yl]-4-methylpyridine-3-carboxylate?

The canonical SMILES for methyl 6-[4-[(6-methoxy-1-methylindazol-7-yl)sulfamoyl]pyrazol-1-yl]-4-methylpyridine-3-carboxylate is COC(=O)c1cnc(-n2cc(S(=O)(=O)Nc3c(OC)ccc4cnn(C)c34)cn2)cc1C.

What is the InChIKey of methyl 6-[4-[(6-methoxy-1-methylindazol-7-yl)sulfamoyl]pyrazol-1-yl]-4-methylpyridine-3-carboxylate?

The InChIKey is BMRMFOLKKYNCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O5S/c1-12-7-17(21-10-15(12)20(27)31-4)26-11-14(9-23-26)32(28,29)24-18-16(30-3)6-5-13-8-22-25(2)19(13)18/h5-11,24H,1-4H3.

What are the key properties of methyl 6-[4-[(6-methoxy-1-methylindazol-7-yl)sulfamoyl]pyrazol-1-yl]-4-methylpyridine-3-carboxylate?

methyl 6-[4-[(6-methoxy-1-methylindazol-7-yl)sulfamoyl]pyrazol-1-yl]-4-methylpyridine-3-carboxylate has a molecular weight of 456.48 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 6-[4-[(6-methoxy-1-methylindazol-7-yl)sulfamoyl]pyrazol-1-yl]-4-methylpyridine-3-carboxylate is sourced from PubChem (CID 170969296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).