N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-2-(ethylsulfonylamino)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide

C24H26F2N8O3S — CID 134495636

About N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-2-(ethylsulfonylamino)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide

N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-2-(ethylsulfonylamino)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (PubChem CID 134495636) has the molecular formula C24H26F2N8O3S and a molecular weight of 544.59 g/mol. Its IUPAC name is N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-2-(ethylsulfonylamino)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-2-(ethylsulfonylamino)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
• PubChem CID: 134495636
• Molecular Formula: C24H26F2N8O3S
• Molecular Weight: 544.59 g/mol
• Exact Mass: 544.18
• IUPAC Name: N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-2-(ethylsulfonylamino)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
• SMILES: CCS(=O)(=O)Nc1cc(-c2cc(C)n(C)n2)ccc1Nc1cc(NC(=O)C2CC2)nc2nc(C(F)F)[nH]c12
• InChI: InChI=1S/C24H26F2N8O3S/c1-4-38(36,37)33-17-10-14(16-9-12(2)34(3)32-16)7-8-15(17)27-18-11-19(29-24(35)13-5-6-13)28-22-20(18)30-23(31-22)21(25)26/h7-11,13,21,33H,4-6H2,1-3H3,(H3,27,28,29,30,31,35)
• InChIKey: XKCAESTWKUXSOM-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 146.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.59
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-2-(ethylsulfonylamino)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (CID 134495636) is N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-2-(ethylsulfonylamino)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.

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

The canonical SMILES for N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-2-(ethylsulfonylamino)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is CCS(=O)(=O)Nc1cc(-c2cc(C)n(C)n2)ccc1Nc1cc(NC(=O)C2CC2)nc2nc(C(F)F)[nH]c12.

What is the InChIKey of N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-2-(ethylsulfonylamino)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?

The InChIKey is XKCAESTWKUXSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N8O3S/c1-4-38(36,37)33-17-10-14(16-9-12(2)34(3)32-16)7-8-15(17)27-18-11-19(29-24(35)13-5-6-13)28-22-20(18)30-23(31-22)21(25)26/h7-11,13,21,33H,4-6H2,1-3H3,(H3,27,28,29,30,31,35).

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

N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-2-(ethylsulfonylamino)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide has a molecular weight of 544.59 g/mol, XLogP of 4.46, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-2-(ethylsulfonylamino)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 134495636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).