5-(2,2-difluoroethoxy)-3-methyl-2-[5-[(oxolane-2-carbonylamino)methyl]-2-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide

C30H32F8N6O4 — CID 88864243

About 5-(2,2-difluoroethoxy)-3-methyl-2-[5-[(oxolane-2-carbonylamino)methyl]-2-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide

5-(2,2-difluoroethoxy)-3-methyl-2-[5-[(oxolane-2-carbonylamino)methyl]-2-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 88864243) has the molecular formula C30H32F8N6O4 and a molecular weight of 692.61 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)-3-methyl-2-[5-[(oxolane-2-carbonylamino)methyl]-2-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 5-(2,2-difluoroethoxy)-3-methyl-2-[5-[(oxolane-2-carbonylamino)methyl]-2-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide
• PubChem CID: 88864243
• Molecular Formula: C30H32F8N6O4
• Molecular Weight: 692.61 g/mol
• Exact Mass: 692.24
• IUPAC Name: 5-(2,2-difluoroethoxy)-3-methyl-2-[5-[(oxolane-2-carbonylamino)methyl]-2-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide
• SMILES: Cn1c(Nc2cc(CNC(=O)C3CCCO3)ccc2C(F)(F)F)nc2cc(C(=O)NC3CCC(C(F)(F)F)CC3)c(OCC(F)F)nc21
• InChI: InChI=1S/C30H32F8N6O4/c1-44-24-21(12-18(27(43-24)48-14-23(31)32)25(45)40-17-7-5-16(6-8-17)29(33,34)35)42-28(44)41-20-11-15(4-9-19(20)30(36,37)38)13-39-26(46)22-3-2-10-47-22/h4,9,11-12,16-17,22-23H,2-3,5-8,10,13-14H2,1H3,(H,39,46)(H,40,45)(H,41,42)
• InChIKey: JIWSMJVWKQYODD-UHFFFAOYSA-N
• XLogP: 6.02
• TPSA: 119.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	692.61
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethoxy)-3-methyl-2-[5-[(oxolane-2-carbonylamino)methyl]-2-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide?

The IUPAC name of 5-(2,2-difluoroethoxy)-3-methyl-2-[5-[(oxolane-2-carbonylamino)methyl]-2-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 88864243) is 5-(2,2-difluoroethoxy)-3-methyl-2-[5-[(oxolane-2-carbonylamino)methyl]-2-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide.

What is the SMILES notation for 5-(2,2-difluoroethoxy)-3-methyl-2-[5-[(oxolane-2-carbonylamino)methyl]-2-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide?

The canonical SMILES for 5-(2,2-difluoroethoxy)-3-methyl-2-[5-[(oxolane-2-carbonylamino)methyl]-2-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide is Cn1c(Nc2cc(CNC(=O)C3CCCO3)ccc2C(F)(F)F)nc2cc(C(=O)NC3CCC(C(F)(F)F)CC3)c(OCC(F)F)nc21.

What is the InChIKey of 5-(2,2-difluoroethoxy)-3-methyl-2-[5-[(oxolane-2-carbonylamino)methyl]-2-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide?

The InChIKey is JIWSMJVWKQYODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F8N6O4/c1-44-24-21(12-18(27(43-24)48-14-23(31)32)25(45)40-17-7-5-16(6-8-17)29(33,34)35)42-28(44)41-20-11-15(4-9-19(20)30(36,37)38)13-39-26(46)22-3-2-10-47-22/h4,9,11-12,16-17,22-23H,2-3,5-8,10,13-14H2,1H3,(H,39,46)(H,40,45)(H,41,42).

What are the key properties of 5-(2,2-difluoroethoxy)-3-methyl-2-[5-[(oxolane-2-carbonylamino)methyl]-2-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide?

5-(2,2-difluoroethoxy)-3-methyl-2-[5-[(oxolane-2-carbonylamino)methyl]-2-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 692.61 g/mol, XLogP of 6.02, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,2-difluoroethoxy)-3-methyl-2-[5-[(oxolane-2-carbonylamino)methyl]-2-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 88864243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).