N-[2-(difluoromethyl)-7-[2-(N,S-dimethylsulfonimidoyl)-4-[4-(methoxymethyl)-5-methyl-1,3-thiazol-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide

C25H27F2N7O3S2 — CID 134455462

About N-[2-(difluoromethyl)-7-[2-(N,S-dimethylsulfonimidoyl)-4-[4-(methoxymethyl)-5-methyl-1,3-thiazol-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide

N-[2-(difluoromethyl)-7-[2-(N,S-dimethylsulfonimidoyl)-4-[4-(methoxymethyl)-5-methyl-1,3-thiazol-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (PubChem CID 134455462) has the molecular formula C25H27F2N7O3S2 and a molecular weight of 575.67 g/mol. Its IUPAC name is N-[2-(difluoromethyl)-7-[2-(N,S-dimethylsulfonimidoyl)-4-[4-(methoxymethyl)-5-methyl-1,3-thiazol-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[2-(difluoromethyl)-7-[2-(N,S-dimethylsulfonimidoyl)-4-[4-(methoxymethyl)-5-methyl-1,3-thiazol-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
• PubChem CID: 134455462
• Molecular Formula: C25H27F2N7O3S2
• Molecular Weight: 575.67 g/mol
• Exact Mass: 575.16
• IUPAC Name: N-[2-(difluoromethyl)-7-[2-(N,S-dimethylsulfonimidoyl)-4-[4-(methoxymethyl)-5-methyl-1,3-thiazol-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
• SMILES: CN=S(C)(=O)c1cc(-c2nc(COC)c(C)s2)ccc1Nc1cc(NC(=O)C2CC2)nc2nc(C(F)F)[nH]c12
• InChI: InChI=1S/C25H27F2N7O3S2/c1-12-17(11-37-3)30-25(38-12)14-7-8-15(18(9-14)39(4,36)28-2)29-16-10-19(32-24(35)13-5-6-13)31-22-20(16)33-23(34-22)21(26)27/h7-10,13,21H,5-6,11H2,1-4H3,(H3,29,31,32,33,34,35)
• InChIKey: FFUFYGNTEGXTOC-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 134.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.67
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethyl)-7-[2-(N,S-dimethylsulfonimidoyl)-4-[4-(methoxymethyl)-5-methyl-1,3-thiazol-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?

The IUPAC name of N-[2-(difluoromethyl)-7-[2-(N,S-dimethylsulfonimidoyl)-4-[4-(methoxymethyl)-5-methyl-1,3-thiazol-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (CID 134455462) is N-[2-(difluoromethyl)-7-[2-(N,S-dimethylsulfonimidoyl)-4-[4-(methoxymethyl)-5-methyl-1,3-thiazol-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[2-(difluoromethyl)-7-[2-(N,S-dimethylsulfonimidoyl)-4-[4-(methoxymethyl)-5-methyl-1,3-thiazol-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[2-(difluoromethyl)-7-[2-(N,S-dimethylsulfonimidoyl)-4-[4-(methoxymethyl)-5-methyl-1,3-thiazol-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is CN=S(C)(=O)c1cc(-c2nc(COC)c(C)s2)ccc1Nc1cc(NC(=O)C2CC2)nc2nc(C(F)F)[nH]c12.

What is the InChIKey of N-[2-(difluoromethyl)-7-[2-(N,S-dimethylsulfonimidoyl)-4-[4-(methoxymethyl)-5-methyl-1,3-thiazol-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?

The InChIKey is FFUFYGNTEGXTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N7O3S2/c1-12-17(11-37-3)30-25(38-12)14-7-8-15(18(9-14)39(4,36)28-2)29-16-10-19(32-24(35)13-5-6-13)31-22-20(16)33-23(34-22)21(26)27/h7-10,13,21H,5-6,11H2,1-4H3,(H3,29,31,32,33,34,35).

What are the key properties of N-[2-(difluoromethyl)-7-[2-(N,S-dimethylsulfonimidoyl)-4-[4-(methoxymethyl)-5-methyl-1,3-thiazol-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?

N-[2-(difluoromethyl)-7-[2-(N,S-dimethylsulfonimidoyl)-4-[4-(methoxymethyl)-5-methyl-1,3-thiazol-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide has a molecular weight of 575.67 g/mol, XLogP of 5.65, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(difluoromethyl)-7-[2-(N,S-dimethylsulfonimidoyl)-4-[4-(methoxymethyl)-5-methyl-1,3-thiazol-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 134455462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).