5-chloro-3-iodophosphanyl-2-methyl-N-[2-methylsulfanyl-4-(oxolan-3-yl)phenyl]imidazo[4,5-b]pyridin-7-amine;ethane

C20H25ClIN4OPS — CID 142334078

IUPAC5-chloro-3-iodophosphanyl-2-methyl-N-[2-methylsulfanyl-4-(oxolan-3-yl)phenyl]imidazo[4,5-b]pyridin-7-amine;ethane
SMILESCC.CSc1cc(C2CCOC2)ccc1Nc1cc(Cl)nc2c1nc(C)n2PI
InChIInChI=1S/C18H19ClIN4OPS.C2H6/c1-10-21-17-14(8-16(19)23-18(17)24(10)26-20)22-13-4-3-11(7-15(13)27-2)12-5-6-25-9-12;1-2/h3-4,7-8,12,26H,5-6,9H2,1-2H3,(H,22,23);1-2H3
InChIKeyAZSNTDSNTVGEQX-UHFFFAOYSA-N
MW562.85 g/mol
LogP7.18
Rot. Bonds5

About 5-chloro-3-iodophosphanyl-2-methyl-N-[2-methylsulfanyl-4-(oxolan-3-yl)phenyl]imidazo[4,5-b]pyridin-7-amine;ethane

5-chloro-3-iodophosphanyl-2-methyl-N-[2-methylsulfanyl-4-(oxolan-3-yl)phenyl]imidazo[4,5-b]pyridin-7-amine;ethane (PubChem CID 142334078) has the molecular formula C20H25ClIN4OPS and a molecular weight of 562.85 g/mol. Its IUPAC name is 5-chloro-3-iodophosphanyl-2-methyl-N-[2-methylsulfanyl-4-(oxolan-3-yl)phenyl]imidazo[4,5-b]pyridin-7-amine;ethane.

Molecular Properties

Compound Name5-chloro-3-iodophosphanyl-2-methyl-N-[2-methylsulfanyl-4-(oxolan-3-yl)phenyl]imidazo[4,5-b]pyridin-7-amine;ethane
PubChem CID142334078
Molecular FormulaC20H25ClIN4OPS
Molecular Weight562.85 g/mol
Exact Mass562.02
IUPAC Name5-chloro-3-iodophosphanyl-2-methyl-N-[2-methylsulfanyl-4-(oxolan-3-yl)phenyl]imidazo[4,5-b]pyridin-7-amine;ethane
SMILESCC.CSc1cc(C2CCOC2)ccc1Nc1cc(Cl)nc2c1nc(C)n2PI
InChIInChI=1S/C18H19ClIN4OPS.C2H6/c1-10-21-17-14(8-16(19)23-18(17)24(10)26-20)22-13-4-3-11(7-15(13)27-2)12-5-6-25-9-12;1-2/h3-4,7-8,12,26H,5-6,9H2,1-2H3,(H,22,23);1-2H3
InChIKeyAZSNTDSNTVGEQX-UHFFFAOYSA-N
XLogP7.18
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.85
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

5-chloro-3-iodophosphanyl-2-methyl-N-[2-methylsulfanyl-4-(oxan-4-yl)phenyl]imidazo[4,5-b]pyridin-7-amine;ethane
CID 142334883
5-chloro-3-iodophosphanyl-2-methyl-N-[4-(1-methylimidazol-4-yl)-2-methylsulfanylphenyl]imidazo[4,5-b]pyridin-7-amine
CID 142334162
N-[7-(4-cyclopropyl-2-methylsulfanylanilino)-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 142334747
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
5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-(2-methylsulfanylphenyl)imidazo[4,5-b]pyridin-7-amine;ethane;oxane
CID 142334795
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
N-[2-(difluoromethyl)-3-iodophosphanyl-7-[2-methylsulfanyl-4-(oxan-3-yl)anilino]imidazo[4,5-b]pyridin-5-yl]-2,2-difluorocyclopropane-1-carboxamide;ethane
CID 142334958
5-chloro-N-(4-chloro-2-methylsulfanylphenyl)-2-(difluoromethyl)-3-iodophosphanylimidazo[4,5-b]pyridin-7-amine
CID 142334712
1-N-(5-chloro-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-yl)-4-(1,5-dimethylimidazol-2-yl)-2-N-methyl-2-N-methylsulfanylbenzene-1,2-diamine
CID 142334386
5-chloro-N-[4-(methoxymethyl)-2-methylsulfanylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
CID 134455442
5-chloro-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyphenyl]-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-amine;ethane
CID 142334197
5-chloro-2-(difluoromethyl)-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylsulfanylphenyl]-3-iodophosphanylimidazo[4,5-b]pyridin-7-amine;ethane
CID 142335052

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-iodophosphanyl-2-methyl-N-[2-methylsulfanyl-4-(oxolan-3-yl)phenyl]imidazo[4,5-b]pyridin-7-amine;ethane?
The IUPAC name of 5-chloro-3-iodophosphanyl-2-methyl-N-[2-methylsulfanyl-4-(oxolan-3-yl)phenyl]imidazo[4,5-b]pyridin-7-amine;ethane (CID 142334078) is 5-chloro-3-iodophosphanyl-2-methyl-N-[2-methylsulfanyl-4-(oxolan-3-yl)phenyl]imidazo[4,5-b]pyridin-7-amine;ethane.
What is the SMILES notation for 5-chloro-3-iodophosphanyl-2-methyl-N-[2-methylsulfanyl-4-(oxolan-3-yl)phenyl]imidazo[4,5-b]pyridin-7-amine;ethane?
The canonical SMILES for 5-chloro-3-iodophosphanyl-2-methyl-N-[2-methylsulfanyl-4-(oxolan-3-yl)phenyl]imidazo[4,5-b]pyridin-7-amine;ethane is CC.CSc1cc(C2CCOC2)ccc1Nc1cc(Cl)nc2c1nc(C)n2PI.
What is the InChIKey of 5-chloro-3-iodophosphanyl-2-methyl-N-[2-methylsulfanyl-4-(oxolan-3-yl)phenyl]imidazo[4,5-b]pyridin-7-amine;ethane?
The InChIKey is AZSNTDSNTVGEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClIN4OPS.C2H6/c1-10-21-17-14(8-16(19)23-18(17)24(10)26-20)22-13-4-3-11(7-15(13)27-2)12-5-6-25-9-12;1-2/h3-4,7-8,12,26H,5-6,9H2,1-2H3,(H,22,23);1-2H3.
What are the key properties of 5-chloro-3-iodophosphanyl-2-methyl-N-[2-methylsulfanyl-4-(oxolan-3-yl)phenyl]imidazo[4,5-b]pyridin-7-amine;ethane?
5-chloro-3-iodophosphanyl-2-methyl-N-[2-methylsulfanyl-4-(oxolan-3-yl)phenyl]imidazo[4,5-b]pyridin-7-amine;ethane has a molecular weight of 562.85 g/mol, XLogP of 7.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-iodophosphanyl-2-methyl-N-[2-methylsulfanyl-4-(oxolan-3-yl)phenyl]imidazo[4,5-b]pyridin-7-amine;ethane is sourced from PubChem (CID 142334078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).