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

C24H28F2N5O3P — CID 134455296

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

N-[2-(difluoromethyl)-7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (PubChem CID 134455296) has the molecular formula C24H28F2N5O3P and a molecular weight of 503.49 g/mol. Its IUPAC name is N-[2-(difluoromethyl)-7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[2-(difluoromethyl)-7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
• PubChem CID: 134455296
• Molecular Formula: C24H28F2N5O3P
• Molecular Weight: 503.49 g/mol
• Exact Mass: 503.19
• IUPAC Name: N-[2-(difluoromethyl)-7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
• SMILES: CP(C)(=O)c1cc(C2CCOCC2)ccc1Nc1cc(NC(=O)C2CC2)nc2nc(C(F)F)[nH]c12
• InChI: InChI=1S/C24H28F2N5O3P/c1-35(2,33)18-11-15(13-7-9-34-10-8-13)5-6-16(18)27-17-12-19(29-24(32)14-3-4-14)28-22-20(17)30-23(31-22)21(25)26/h5-6,11-14,21H,3-4,7-10H2,1-2H3,(H3,27,28,29,30,31,32)
• InChIKey: LLTIBNDSZBBCPE-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 109.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.49
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[2-(difluoromethyl)-7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (CID 134455296) is N-[2-(difluoromethyl)-7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.

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

The canonical SMILES for N-[2-(difluoromethyl)-7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is CP(C)(=O)c1cc(C2CCOCC2)ccc1Nc1cc(NC(=O)C2CC2)nc2nc(C(F)F)[nH]c12.

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

The InChIKey is LLTIBNDSZBBCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N5O3P/c1-35(2,33)18-11-15(13-7-9-34-10-8-13)5-6-16(18)27-17-12-19(29-24(32)14-3-4-14)28-22-20(17)30-23(31-22)21(25)26/h5-6,11-14,21H,3-4,7-10H2,1-2H3,(H3,27,28,29,30,31,32).

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

N-[2-(difluoromethyl)-7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide has a molecular weight of 503.49 g/mol, XLogP of 5.13, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(difluoromethyl)-7-[2-dimethylphosphoryl-4-(oxan-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 134455296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).