4-(5-cyano-2-methoxyphenyl)-N-[5-(cyclopentylsulfamoyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide

C25H26N6O4S2 — CID 176834401

About 4-(5-cyano-2-methoxyphenyl)-N-[5-(cyclopentylsulfamoyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide

4-(5-cyano-2-methoxyphenyl)-N-[5-(cyclopentylsulfamoyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide (PubChem CID 176834401) has the molecular formula C25H26N6O4S2 and a molecular weight of 538.66 g/mol. Its IUPAC name is 4-(5-cyano-2-methoxyphenyl)-N-[5-(cyclopentylsulfamoyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-(5-cyano-2-methoxyphenyl)-N-[5-(cyclopentylsulfamoyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide
• PubChem CID: 176834401
• Molecular Formula: C25H26N6O4S2
• Molecular Weight: 538.66 g/mol
• Exact Mass: 538.15
• IUPAC Name: 4-(5-cyano-2-methoxyphenyl)-N-[5-(cyclopentylsulfamoyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide
• SMILES: COc1ccc(C#N)cc1-c1cc(C)ncc1C(=O)Nc1nc2c(s1)CN(S(=O)(=O)NC1CCCC1)C2
• InChI: InChI=1S/C25H26N6O4S2/c1-15-9-18(19-10-16(11-26)7-8-22(19)35-2)20(12-27-15)24(32)29-25-28-21-13-31(14-23(21)36-25)37(33,34)30-17-5-3-4-6-17/h7-10,12,17,30H,3-6,13-14H2,1-2H3,(H,28,29,32)
• InChIKey: CNLYDODHSGYKFG-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 137.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.66
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyano-2-methoxyphenyl)-N-[5-(cyclopentylsulfamoyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide?

The IUPAC name of 4-(5-cyano-2-methoxyphenyl)-N-[5-(cyclopentylsulfamoyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide (CID 176834401) is 4-(5-cyano-2-methoxyphenyl)-N-[5-(cyclopentylsulfamoyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide.

What is the SMILES notation for 4-(5-cyano-2-methoxyphenyl)-N-[5-(cyclopentylsulfamoyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide?

The canonical SMILES for 4-(5-cyano-2-methoxyphenyl)-N-[5-(cyclopentylsulfamoyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide is COc1ccc(C#N)cc1-c1cc(C)ncc1C(=O)Nc1nc2c(s1)CN(S(=O)(=O)NC1CCCC1)C2.

What is the InChIKey of 4-(5-cyano-2-methoxyphenyl)-N-[5-(cyclopentylsulfamoyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide?

The InChIKey is CNLYDODHSGYKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O4S2/c1-15-9-18(19-10-16(11-26)7-8-22(19)35-2)20(12-27-15)24(32)29-25-28-21-13-31(14-23(21)36-25)37(33,34)30-17-5-3-4-6-17/h7-10,12,17,30H,3-6,13-14H2,1-2H3,(H,28,29,32).

What are the key properties of 4-(5-cyano-2-methoxyphenyl)-N-[5-(cyclopentylsulfamoyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide?

4-(5-cyano-2-methoxyphenyl)-N-[5-(cyclopentylsulfamoyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 538.66 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-cyano-2-methoxyphenyl)-N-[5-(cyclopentylsulfamoyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 176834401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).