6-[[3-iodophosphanyl-2-methyl-7-(2-methylsulfanylanilino)imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile

C20H17IN7PS — CID 142334196

IUPAC6-[[3-iodophosphanyl-2-methyl-7-(2-methylsulfanylanilino)imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
SMILESCSc1ccccc1Nc1cc(Nc2cccc(C#N)n2)nc2c1nc(C)n2PI
InChIInChI=1S/C20H17IN7PS/c1-12-23-19-15(25-14-7-3-4-8-16(14)30-2)10-18(27-20(19)28(12)29-21)26-17-9-5-6-13(11-22)24-17/h3-10,29H,1-2H3,(H2,24,25,26,27)
InChIKeyMBRZHINHRVWWBM-UHFFFAOYSA-N
MW545.35 g/mol
LogP6.01
Rot. Bonds6

About 6-[[3-iodophosphanyl-2-methyl-7-(2-methylsulfanylanilino)imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile

6-[[3-iodophosphanyl-2-methyl-7-(2-methylsulfanylanilino)imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile (PubChem CID 142334196) has the molecular formula C20H17IN7PS and a molecular weight of 545.35 g/mol. Its IUPAC name is 6-[[3-iodophosphanyl-2-methyl-7-(2-methylsulfanylanilino)imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[3-iodophosphanyl-2-methyl-7-(2-methylsulfanylanilino)imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
PubChem CID142334196
Molecular FormulaC20H17IN7PS
Molecular Weight545.35 g/mol
Exact Mass545.00
IUPAC Name6-[[3-iodophosphanyl-2-methyl-7-(2-methylsulfanylanilino)imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
SMILESCSc1ccccc1Nc1cc(Nc2cccc(C#N)n2)nc2c1nc(C)n2PI
InChIInChI=1S/C20H17IN7PS/c1-12-23-19-15(25-14-7-3-4-8-16(14)30-2)10-18(27-20(19)28(12)29-21)26-17-9-5-6-13(11-22)24-17/h3-10,29H,1-2H3,(H2,24,25,26,27)
InChIKeyMBRZHINHRVWWBM-UHFFFAOYSA-N
XLogP6.01
TPSA91.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.35
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-[[3-iodophosphanyl-2-methyl-7-(2-methylsulfanylanilino)imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

6-[[3-iodophosphanyl-7-[2-methoxy-4-(3-methylimidazol-4-yl)anilino]-2-methylimidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
CID 142334182
7-N-[4-chloro-2-[methyl(methylsulfanyl)amino]phenyl]-5-N-(5,6-dimethylpyrazin-2-yl)-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridine-5,7-diamine
CID 142334790
N-[7-(4-cyclopropyl-2-methylsulfanylanilino)-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 142334747
ethane;N-[3-iodophosphanyl-2-methyl-7-[2-methylsulfanyl-4-(oxolan-2-yl)anilino]imidazo[4,5-b]pyridin-5-yl]formamide;methylcyclopropane
CID 142334468
2-[[5-[(6-cyano-2-pyridinyl)amino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(4-methyl-1,3-thiazol-2-yl)benzenesulfinate
CID 134512901
5-chloro-3-iodophosphanyl-2-methyl-N-[4-(1-methylimidazol-4-yl)-2-methylsulfanylphenyl]imidazo[4,5-b]pyridin-7-amine
CID 142334162
6-(2-fluoro-3-methylanilino)pyridine-2-carbonitrile
CID 114254817
N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-formylphenyl]-N-methylmethanesulfonamide
CID 134455803
5-chloro-3-iodophosphanyl-2-methyl-N-[2-methylsulfanyl-4-(oxolan-3-yl)phenyl]imidazo[4,5-b]pyridin-7-amine;ethane
CID 142334078
5-chloro-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfanylphenyl]-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-amine;ethane
CID 142334913
6-(4-methylanilino)pyridine-2-carbonitrile
CID 64593514
6-(4-fluoro-2-methylanilino)pyridine-2-carbonitrile
CID 64595666

Frequently Asked Questions

What is the IUPAC name of 6-[[3-iodophosphanyl-2-methyl-7-(2-methylsulfanylanilino)imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[[3-iodophosphanyl-2-methyl-7-(2-methylsulfanylanilino)imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile (CID 142334196) is 6-[[3-iodophosphanyl-2-methyl-7-(2-methylsulfanylanilino)imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[3-iodophosphanyl-2-methyl-7-(2-methylsulfanylanilino)imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[3-iodophosphanyl-2-methyl-7-(2-methylsulfanylanilino)imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile is CSc1ccccc1Nc1cc(Nc2cccc(C#N)n2)nc2c1nc(C)n2PI.
What is the InChIKey of 6-[[3-iodophosphanyl-2-methyl-7-(2-methylsulfanylanilino)imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
The InChIKey is MBRZHINHRVWWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17IN7PS/c1-12-23-19-15(25-14-7-3-4-8-16(14)30-2)10-18(27-20(19)28(12)29-21)26-17-9-5-6-13(11-22)24-17/h3-10,29H,1-2H3,(H2,24,25,26,27).
What are the key properties of 6-[[3-iodophosphanyl-2-methyl-7-(2-methylsulfanylanilino)imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
6-[[3-iodophosphanyl-2-methyl-7-(2-methylsulfanylanilino)imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile has a molecular weight of 545.35 g/mol, XLogP of 6.01, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-iodophosphanyl-2-methyl-7-(2-methylsulfanylanilino)imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 142334196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).