N-[[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]phenyl]methyl]-1-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide

C26H26N6O4S — CID 166431507

About N-[[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]phenyl]methyl]-1-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide

N-[[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]phenyl]methyl]-1-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide (PubChem CID 166431507) has the molecular formula C26H26N6O4S and a molecular weight of 518.60 g/mol. Its IUPAC name is N-[[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]phenyl]methyl]-1-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]phenyl]methyl]-1-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide
• PubChem CID: 166431507
• Molecular Formula: C26H26N6O4S
• Molecular Weight: 518.60 g/mol
• Exact Mass: 518.17
• IUPAC Name: N-[[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]phenyl]methyl]-1-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide
• SMILES: CCn1nc(C(=O)NCc2ccc(S(=O)(=O)Nc3ccc(C)c4c(C#N)c[nH]c34)cc2)c2c1CCOC2
• InChI: InChI=1S/C26H26N6O4S/c1-3-32-22-10-11-36-15-20(22)24(30-32)26(33)29-13-17-5-7-19(8-6-17)37(34,35)31-21-9-4-16(2)23-18(12-27)14-28-25(21)23/h4-9,14,28,31H,3,10-11,13,15H2,1-2H3,(H,29,33)
• InChIKey: IUMWNGXBHHHSMI-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 141.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.60
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]phenyl]methyl]-1-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide?

The IUPAC name of N-[[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]phenyl]methyl]-1-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide (CID 166431507) is N-[[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]phenyl]methyl]-1-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide.

What is the SMILES notation for N-[[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]phenyl]methyl]-1-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide?

The canonical SMILES for N-[[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]phenyl]methyl]-1-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide is CCn1nc(C(=O)NCc2ccc(S(=O)(=O)Nc3ccc(C)c4c(C#N)c[nH]c34)cc2)c2c1CCOC2.

What is the InChIKey of N-[[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]phenyl]methyl]-1-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide?

The InChIKey is IUMWNGXBHHHSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O4S/c1-3-32-22-10-11-36-15-20(22)24(30-32)26(33)29-13-17-5-7-19(8-6-17)37(34,35)31-21-9-4-16(2)23-18(12-27)14-28-25(21)23/h4-9,14,28,31H,3,10-11,13,15H2,1-2H3,(H,29,33).

What are the key properties of N-[[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]phenyl]methyl]-1-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide?

N-[[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]phenyl]methyl]-1-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide has a molecular weight of 518.60 g/mol, XLogP of 3.37, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]phenyl]methyl]-1-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide is sourced from PubChem (CID 166431507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).