5-chloro-N-(4-fluoro-2-methylsulfanylphenyl)-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-amine

C14H12ClFIN4PS — CID 142334316

IUPAC5-chloro-N-(4-fluoro-2-methylsulfanylphenyl)-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-amine
SMILESCSc1cc(F)ccc1Nc1cc(Cl)nc2c1nc(C)n2PI
InChIInChI=1S/C14H12ClFIN4PS/c1-7-18-13-10(6-12(15)20-14(13)21(7)22-17)19-9-4-3-8(16)5-11(9)23-2/h3-6,22H,1-2H3,(H,19,20)
InChIKeyUNVUZDAATHXGNN-UHFFFAOYSA-N
MW480.67 g/mol
LogP5.79
Rot. Bonds4

About 5-chloro-N-(4-fluoro-2-methylsulfanylphenyl)-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-amine

5-chloro-N-(4-fluoro-2-methylsulfanylphenyl)-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-amine (PubChem CID 142334316) has the molecular formula C14H12ClFIN4PS and a molecular weight of 480.67 g/mol. Its IUPAC name is 5-chloro-N-(4-fluoro-2-methylsulfanylphenyl)-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-chloro-N-(4-fluoro-2-methylsulfanylphenyl)-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-amine
PubChem CID142334316
Molecular FormulaC14H12ClFIN4PS
Molecular Weight480.67 g/mol
Exact Mass479.92
IUPAC Name5-chloro-N-(4-fluoro-2-methylsulfanylphenyl)-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-amine
SMILESCSc1cc(F)ccc1Nc1cc(Cl)nc2c1nc(C)n2PI
InChIInChI=1S/C14H12ClFIN4PS/c1-7-18-13-10(6-12(15)20-14(13)21(7)22-17)19-9-4-3-8(16)5-11(9)23-2/h3-6,22H,1-2H3,(H,19,20)
InChIKeyUNVUZDAATHXGNN-UHFFFAOYSA-N
XLogP5.79
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.67
LogP ≤ 55.79
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-N-(4-fluoro-2-methylsulfanylphenyl)-3-iodophosphanyl-2-methylimidazo[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-N-(4-fluoro-2-methylsulfanylphenyl)-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-chloro-N-(4-fluoro-2-methylsulfanylphenyl)-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-amine (CID 142334316) is 5-chloro-N-(4-fluoro-2-methylsulfanylphenyl)-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-chloro-N-(4-fluoro-2-methylsulfanylphenyl)-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-chloro-N-(4-fluoro-2-methylsulfanylphenyl)-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-amine is CSc1cc(F)ccc1Nc1cc(Cl)nc2c1nc(C)n2PI.
What is the InChIKey of 5-chloro-N-(4-fluoro-2-methylsulfanylphenyl)-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-amine?
The InChIKey is UNVUZDAATHXGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFIN4PS/c1-7-18-13-10(6-12(15)20-14(13)21(7)22-17)19-9-4-3-8(16)5-11(9)23-2/h3-6,22H,1-2H3,(H,19,20).
What are the key properties of 5-chloro-N-(4-fluoro-2-methylsulfanylphenyl)-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-amine?
5-chloro-N-(4-fluoro-2-methylsulfanylphenyl)-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-amine has a molecular weight of 480.67 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-fluoro-2-methylsulfanylphenyl)-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 142334316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).