2,2-difluoro-N-[2-methyl-7-[4-(3-methylimidazol-4-yl)-2-[methyl(methylsulfonyl)amino]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide

C23H24F2N8O3S — CID 134455903

About 2,2-difluoro-N-[2-methyl-7-[4-(3-methylimidazol-4-yl)-2-[methyl(methylsulfonyl)amino]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide

2,2-difluoro-N-[2-methyl-7-[4-(3-methylimidazol-4-yl)-2-[methyl(methylsulfonyl)amino]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide (PubChem CID 134455903) has the molecular formula C23H24F2N8O3S and a molecular weight of 530.56 g/mol. Its IUPAC name is 2,2-difluoro-N-[2-methyl-7-[4-(3-methylimidazol-4-yl)-2-[methyl(methylsulfonyl)amino]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 2,2-difluoro-N-[2-methyl-7-[4-(3-methylimidazol-4-yl)-2-[methyl(methylsulfonyl)amino]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide
• PubChem CID: 134455903
• Molecular Formula: C23H24F2N8O3S
• Molecular Weight: 530.56 g/mol
• Exact Mass: 530.17
• IUPAC Name: 2,2-difluoro-N-[2-methyl-7-[4-(3-methylimidazol-4-yl)-2-[methyl(methylsulfonyl)amino]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide
• SMILES: Cc1nc2nc(NC(=O)C3CC3(F)F)cc(Nc3ccc(-c4cncn4C)cc3N(C)S(C)(=O)=O)c2[nH]1
• InChI: InChI=1S/C23H24F2N8O3S/c1-12-27-20-16(8-19(30-21(20)28-12)31-22(34)14-9-23(14,24)25)29-15-6-5-13(18-10-26-11-32(18)2)7-17(15)33(3)37(4,35)36/h5-8,10-11,14H,9H2,1-4H3,(H3,27,28,29,30,31,34)
• InChIKey: WIFCSULWPRWCQU-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 137.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.56
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[2-methyl-7-[4-(3-methylimidazol-4-yl)-2-[methyl(methylsulfonyl)amino]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide?

The IUPAC name of 2,2-difluoro-N-[2-methyl-7-[4-(3-methylimidazol-4-yl)-2-[methyl(methylsulfonyl)amino]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide (CID 134455903) is 2,2-difluoro-N-[2-methyl-7-[4-(3-methylimidazol-4-yl)-2-[methyl(methylsulfonyl)amino]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide.

What is the SMILES notation for 2,2-difluoro-N-[2-methyl-7-[4-(3-methylimidazol-4-yl)-2-[methyl(methylsulfonyl)amino]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide?

The canonical SMILES for 2,2-difluoro-N-[2-methyl-7-[4-(3-methylimidazol-4-yl)-2-[methyl(methylsulfonyl)amino]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide is Cc1nc2nc(NC(=O)C3CC3(F)F)cc(Nc3ccc(-c4cncn4C)cc3N(C)S(C)(=O)=O)c2[nH]1.

What is the InChIKey of 2,2-difluoro-N-[2-methyl-7-[4-(3-methylimidazol-4-yl)-2-[methyl(methylsulfonyl)amino]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide?

The InChIKey is WIFCSULWPRWCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N8O3S/c1-12-27-20-16(8-19(30-21(20)28-12)31-22(34)14-9-23(14,24)25)29-15-6-5-13(18-10-26-11-32(18)2)7-17(15)33(3)37(4,35)36/h5-8,10-11,14H,9H2,1-4H3,(H3,27,28,29,30,31,34).

What are the key properties of 2,2-difluoro-N-[2-methyl-7-[4-(3-methylimidazol-4-yl)-2-[methyl(methylsulfonyl)amino]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide?

2,2-difluoro-N-[2-methyl-7-[4-(3-methylimidazol-4-yl)-2-[methyl(methylsulfonyl)amino]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide has a molecular weight of 530.56 g/mol, XLogP of 3.40, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluoro-N-[2-methyl-7-[4-(3-methylimidazol-4-yl)-2-[methyl(methylsulfonyl)amino]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 134455903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).