(1R)-N-[7-[2-(ethylsulfonylamino)-4-(1-methylpyrazol-4-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]-2,2-difluorocyclopropane-1-carboxamide

C23H24F2N8O3S — CID 134495679

About (1R)-N-[7-[2-(ethylsulfonylamino)-4-(1-methylpyrazol-4-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]-2,2-difluorocyclopropane-1-carboxamide

(1R)-N-[7-[2-(ethylsulfonylamino)-4-(1-methylpyrazol-4-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]-2,2-difluorocyclopropane-1-carboxamide (PubChem CID 134495679) has the molecular formula C23H24F2N8O3S and a molecular weight of 530.56 g/mol. Its IUPAC name is (1R)-N-[7-[2-(ethylsulfonylamino)-4-(1-methylpyrazol-4-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]-2,2-difluorocyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: (1R)-N-[7-[2-(ethylsulfonylamino)-4-(1-methylpyrazol-4-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]-2,2-difluorocyclopropane-1-carboxamide
• PubChem CID: 134495679
• Molecular Formula: C23H24F2N8O3S
• Molecular Weight: 530.56 g/mol
• Exact Mass: 530.17
• IUPAC Name: (1R)-N-[7-[2-(ethylsulfonylamino)-4-(1-methylpyrazol-4-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]-2,2-difluorocyclopropane-1-carboxamide
• SMILES: CCS(=O)(=O)Nc1cc(-c2cnn(C)c2)ccc1Nc1cc(NC(=O)[C@H]2CC2(F)F)nc2nc(C)[nH]c12
• InChI: InChI=1S/C23H24F2N8O3S/c1-4-37(35,36)32-17-7-13(14-10-26-33(3)11-14)5-6-16(17)29-18-8-19(30-21-20(18)27-12(2)28-21)31-22(34)15-9-23(15,24)25/h5-8,10-11,15,32H,4,9H2,1-3H3,(H3,27,28,29,30,31,34)/t15-/m1/s1
• InChIKey: JMCYVBOZLOJQBW-OAHLLOKOSA-N
• XLogP: 3.77
• TPSA: 146.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.56
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[7-[2-(ethylsulfonylamino)-4-(1-methylpyrazol-4-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]-2,2-difluorocyclopropane-1-carboxamide?

The IUPAC name of (1R)-N-[7-[2-(ethylsulfonylamino)-4-(1-methylpyrazol-4-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]-2,2-difluorocyclopropane-1-carboxamide (CID 134495679) is (1R)-N-[7-[2-(ethylsulfonylamino)-4-(1-methylpyrazol-4-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]-2,2-difluorocyclopropane-1-carboxamide.

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

The canonical SMILES for (1R)-N-[7-[2-(ethylsulfonylamino)-4-(1-methylpyrazol-4-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]-2,2-difluorocyclopropane-1-carboxamide is CCS(=O)(=O)Nc1cc(-c2cnn(C)c2)ccc1Nc1cc(NC(=O)[C@H]2CC2(F)F)nc2nc(C)[nH]c12.

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

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

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

(1R)-N-[7-[2-(ethylsulfonylamino)-4-(1-methylpyrazol-4-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]-2,2-difluorocyclopropane-1-carboxamide has a molecular weight of 530.56 g/mol, XLogP of 3.77, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-N-[7-[2-(ethylsulfonylamino)-4-(1-methylpyrazol-4-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]-2,2-difluorocyclopropane-1-carboxamide is sourced from PubChem (CID 134495679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).