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

C23H24F2N8O3S — CID 134495680

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

(1R)-2,2-difluoro-N-[2-methyl-7-[2-[methyl(methylsulfonyl)amino]-4-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide (PubChem CID 134495680) has the molecular formula C23H24F2N8O3S and a molecular weight of 530.56 g/mol. Its IUPAC name is (1R)-2,2-difluoro-N-[2-methyl-7-[2-[methyl(methylsulfonyl)amino]-4-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: (1R)-2,2-difluoro-N-[2-methyl-7-[2-[methyl(methylsulfonyl)amino]-4-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide
• PubChem CID: 134495680
• Molecular Formula: C23H24F2N8O3S
• Molecular Weight: 530.56 g/mol
• Exact Mass: 530.17
• IUPAC Name: (1R)-2,2-difluoro-N-[2-methyl-7-[2-[methyl(methylsulfonyl)amino]-4-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide
• SMILES: Cc1nc2nc(NC(=O)[C@H]3CC3(F)F)cc(Nc3ccc(-c4cnn(C)c4)cc3N(C)S(C)(=O)=O)c2[nH]1
• InChI: InChI=1S/C23H24F2N8O3S/c1-12-27-20-17(8-19(30-21(20)28-12)31-22(34)15-9-23(15,24)25)29-16-6-5-13(14-10-26-32(2)11-14)7-18(16)33(3)37(4,35)36/h5-8,10-11,15H,9H2,1-4H3,(H3,27,28,29,30,31,34)/t15-/m1/s1
• InChIKey: MCYYTVAMJZJBJW-OAHLLOKOSA-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 (1R)-2,2-difluoro-N-[2-methyl-7-[2-[methyl(methylsulfonyl)amino]-4-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide?

The IUPAC name of (1R)-2,2-difluoro-N-[2-methyl-7-[2-[methyl(methylsulfonyl)amino]-4-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide (CID 134495680) is (1R)-2,2-difluoro-N-[2-methyl-7-[2-[methyl(methylsulfonyl)amino]-4-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide.

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

The canonical SMILES for (1R)-2,2-difluoro-N-[2-methyl-7-[2-[methyl(methylsulfonyl)amino]-4-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide is Cc1nc2nc(NC(=O)[C@H]3CC3(F)F)cc(Nc3ccc(-c4cnn(C)c4)cc3N(C)S(C)(=O)=O)c2[nH]1.

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

The InChIKey is MCYYTVAMJZJBJW-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H24F2N8O3S/c1-12-27-20-17(8-19(30-21(20)28-12)31-22(34)15-9-23(15,24)25)29-16-6-5-13(14-10-26-32(2)11-14)7-18(16)33(3)37(4,35)36/h5-8,10-11,15H,9H2,1-4H3,(H3,27,28,29,30,31,34)/t15-/m1/s1.

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

(1R)-2,2-difluoro-N-[2-methyl-7-[2-[methyl(methylsulfonyl)amino]-4-(1-methylpyrazol-4-yl)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 (1R)-2,2-difluoro-N-[2-methyl-7-[2-[methyl(methylsulfonyl)amino]-4-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 134495680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).