N-[7-(4-cyclobutyl-2-dimethylphosphanylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide;ethane

C27H38F2N5OP — CID 142334720

About N-[7-(4-cyclobutyl-2-dimethylphosphanylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide;ethane

N-[7-(4-cyclobutyl-2-dimethylphosphanylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide;ethane (PubChem CID 142334720) has the molecular formula C27H38F2N5OP and a molecular weight of 517.61 g/mol. Its IUPAC name is N-[7-(4-cyclobutyl-2-dimethylphosphanylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide;ethane.

Molecular Properties

• Compound Name: N-[7-(4-cyclobutyl-2-dimethylphosphanylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide;ethane
• PubChem CID: 142334720
• Molecular Formula: C27H38F2N5OP
• Molecular Weight: 517.61 g/mol
• Exact Mass: 517.28
• IUPAC Name: N-[7-(4-cyclobutyl-2-dimethylphosphanylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide;ethane
• SMILES: CC.CC.CP(C)c1cc(C2CCC2)ccc1Nc1cc(NC(=O)C2CC2)nc2nc(C(F)F)[nH]c12
• InChI: InChI=1S/C23H26F2N5OP.2C2H6/c1-32(2)17-10-14(12-4-3-5-12)8-9-15(17)26-16-11-18(28-23(31)13-6-7-13)27-21-19(16)29-22(30-21)20(24)25;2*1-2/h8-13,20H,3-7H2,1-2H3,(H3,26,27,28,29,30,31);2*1-2H3
• InChIKey: YVEGUAJKVSCEJC-UHFFFAOYSA-N
• XLogP: 7.67
• TPSA: 82.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.61
LogP ≤ 5	7.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[7-(4-cyclobutyl-2-dimethylphosphanylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide;ethane?

The IUPAC name of N-[7-(4-cyclobutyl-2-dimethylphosphanylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide;ethane (CID 142334720) is N-[7-(4-cyclobutyl-2-dimethylphosphanylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide;ethane.

What is the SMILES notation for N-[7-(4-cyclobutyl-2-dimethylphosphanylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide;ethane?

The canonical SMILES for N-[7-(4-cyclobutyl-2-dimethylphosphanylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide;ethane is CC.CC.CP(C)c1cc(C2CCC2)ccc1Nc1cc(NC(=O)C2CC2)nc2nc(C(F)F)[nH]c12.

What is the InChIKey of N-[7-(4-cyclobutyl-2-dimethylphosphanylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide;ethane?

The InChIKey is YVEGUAJKVSCEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N5OP.2C2H6/c1-32(2)17-10-14(12-4-3-5-12)8-9-15(17)26-16-11-18(28-23(31)13-6-7-13)27-21-19(16)29-22(30-21)20(24)25;2*1-2/h8-13,20H,3-7H2,1-2H3,(H3,26,27,28,29,30,31);2*1-2H3.

What are the key properties of N-[7-(4-cyclobutyl-2-dimethylphosphanylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide;ethane?

N-[7-(4-cyclobutyl-2-dimethylphosphanylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide;ethane has a molecular weight of 517.61 g/mol, XLogP of 7.67, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-(4-cyclobutyl-2-dimethylphosphanylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide;ethane is sourced from PubChem (CID 142334720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).