5-chloro-2-(difluoromethyl)-N-(2-dimethylphosphorylphenyl)-3-iodophosphanylimidazo[4,5-b]pyridin-7-amine

C15H14ClF2IN4OP2 — CID 142334402

IUPAC5-chloro-2-(difluoromethyl)-N-(2-dimethylphosphorylphenyl)-3-iodophosphanylimidazo[4,5-b]pyridin-7-amine
SMILESCP(C)(=O)c1ccccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2PI
InChIInChI=1S/C15H14ClF2IN4OP2/c1-26(2,24)10-6-4-3-5-8(10)20-9-7-11(16)21-14-12(9)22-15(13(17)18)23(14)25-19/h3-7,13,25H,1-2H3,(H,20,21)
InChIKeySWOYGGJUWTUYJV-UHFFFAOYSA-N
MW528.61 g/mol
LogP5.81
Rot. Bonds5

About 5-chloro-2-(difluoromethyl)-N-(2-dimethylphosphorylphenyl)-3-iodophosphanylimidazo[4,5-b]pyridin-7-amine

5-chloro-2-(difluoromethyl)-N-(2-dimethylphosphorylphenyl)-3-iodophosphanylimidazo[4,5-b]pyridin-7-amine (PubChem CID 142334402) has the molecular formula C15H14ClF2IN4OP2 and a molecular weight of 528.61 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-N-(2-dimethylphosphorylphenyl)-3-iodophosphanylimidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-chloro-2-(difluoromethyl)-N-(2-dimethylphosphorylphenyl)-3-iodophosphanylimidazo[4,5-b]pyridin-7-amine
PubChem CID142334402
Molecular FormulaC15H14ClF2IN4OP2
Molecular Weight528.61 g/mol
Exact Mass527.93
IUPAC Name5-chloro-2-(difluoromethyl)-N-(2-dimethylphosphorylphenyl)-3-iodophosphanylimidazo[4,5-b]pyridin-7-amine
SMILESCP(C)(=O)c1ccccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2PI
InChIInChI=1S/C15H14ClF2IN4OP2/c1-26(2,24)10-6-4-3-5-8(10)20-9-7-11(16)21-14-12(9)22-15(13(17)18)23(14)25-19/h3-7,13,25H,1-2H3,(H,20,21)
InChIKeySWOYGGJUWTUYJV-UHFFFAOYSA-N
XLogP5.81
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.61
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 5-chloro-2-(difluoromethyl)-N-(2-dimethylphosphorylphenyl)-3-iodophosphanylimidazo[4,5-b]pyridin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethyl)-N-(2-dimethylphosphorylphenyl)-3-iodophosphanylimidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-chloro-2-(difluoromethyl)-N-(2-dimethylphosphorylphenyl)-3-iodophosphanylimidazo[4,5-b]pyridin-7-amine (CID 142334402) is 5-chloro-2-(difluoromethyl)-N-(2-dimethylphosphorylphenyl)-3-iodophosphanylimidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-chloro-2-(difluoromethyl)-N-(2-dimethylphosphorylphenyl)-3-iodophosphanylimidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-chloro-2-(difluoromethyl)-N-(2-dimethylphosphorylphenyl)-3-iodophosphanylimidazo[4,5-b]pyridin-7-amine is CP(C)(=O)c1ccccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2PI.
What is the InChIKey of 5-chloro-2-(difluoromethyl)-N-(2-dimethylphosphorylphenyl)-3-iodophosphanylimidazo[4,5-b]pyridin-7-amine?
The InChIKey is SWOYGGJUWTUYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2IN4OP2/c1-26(2,24)10-6-4-3-5-8(10)20-9-7-11(16)21-14-12(9)22-15(13(17)18)23(14)25-19/h3-7,13,25H,1-2H3,(H,20,21).
What are the key properties of 5-chloro-2-(difluoromethyl)-N-(2-dimethylphosphorylphenyl)-3-iodophosphanylimidazo[4,5-b]pyridin-7-amine?
5-chloro-2-(difluoromethyl)-N-(2-dimethylphosphorylphenyl)-3-iodophosphanylimidazo[4,5-b]pyridin-7-amine has a molecular weight of 528.61 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(difluoromethyl)-N-(2-dimethylphosphorylphenyl)-3-iodophosphanylimidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 142334402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).