7-[chloro(difluoro)methyl]-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridine

C16H14ClF2N3O — CID 53243110

IUPAC7-[chloro(difluoro)methyl]-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridine
SMILESCOc1ccc(Cn2cnc3c(C(F)(F)Cl)cc(C)nc32)cc1
InChIInChI=1S/C16H14ClF2N3O/c1-10-7-13(16(17,18)19)14-15(21-10)22(9-20-14)8-11-3-5-12(23-2)6-4-11/h3-7,9H,8H2,1-2H3
InChIKeyQQPKMLCWLHYKKF-UHFFFAOYSA-N
MW337.76 g/mol
LogP4.08
Rot. Bonds4

About 7-[chloro(difluoro)methyl]-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridine

7-[chloro(difluoro)methyl]-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridine (PubChem CID 53243110) has the molecular formula C16H14ClF2N3O and a molecular weight of 337.76 g/mol. Its IUPAC name is 7-[chloro(difluoro)methyl]-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name7-[chloro(difluoro)methyl]-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridine
PubChem CID53243110
Molecular FormulaC16H14ClF2N3O
Molecular Weight337.76 g/mol
Exact Mass337.08
IUPAC Name7-[chloro(difluoro)methyl]-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridine
SMILESCOc1ccc(Cn2cnc3c(C(F)(F)Cl)cc(C)nc32)cc1
InChIInChI=1S/C16H14ClF2N3O/c1-10-7-13(16(17,18)19)14-15(21-10)22(9-20-14)8-11-3-5-12(23-2)6-4-11/h3-7,9H,8H2,1-2H3
InChIKeyQQPKMLCWLHYKKF-UHFFFAOYSA-N
XLogP4.08
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.76
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-[(4-methoxyphenyl)methyl]-2,6-dimethylpurine
CID 71171876
2-chloro-N-(4-methoxy-2,6-dimethylphenyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine
CID 56930431
2,6-dichloro-9-[(4-methoxy-3-methylphenyl)methyl]purine
CID 11151441
6-chloro-N-(4-methoxyphenyl)-9-[(4-methoxyphenyl)methyl]-N-methylpurin-2-amine
CID 87838666
5-hydroxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
CID 59823049
5-[2-(4-methoxyphenyl)ethyl]-11-[(4-methoxyphenyl)methyl]-3,5,7,9,11,13-hexazatricyclo[8.3.0.02,6]trideca-1(10),2,6,8,12-pentaen-4-one
CID 71523926
9-[(2-fluoro-5-methoxyphenyl)methyl]-2-methylpurin-6-amine
CID 158360700
[1-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[3,4-b]pyridin-4-yl] trifluoromethanesulfonate
CID 134330622
11-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methyl]-3,5,7,9,11,13-hexazatricyclo[8.3.0.02,6]trideca-1(10),2,6,8,12-pentaen-4-one
CID 71523883
ethane;1-[(4-methoxyphenyl)methyl]-4-methylimidazole
CID 144619919
2-dimethylphosphoryl-N,9-bis[(4-methoxyphenyl)methyl]purin-6-amine
CID 170722633
N-benzyl-2-chloro-9-[(4-methoxyphenyl)methyl]purin-6-amine
CID 24777798

Frequently Asked Questions

What is the IUPAC name of 7-[chloro(difluoro)methyl]-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridine?
The IUPAC name of 7-[chloro(difluoro)methyl]-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridine (CID 53243110) is 7-[chloro(difluoro)methyl]-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 7-[chloro(difluoro)methyl]-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 7-[chloro(difluoro)methyl]-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridine is COc1ccc(Cn2cnc3c(C(F)(F)Cl)cc(C)nc32)cc1.
What is the InChIKey of 7-[chloro(difluoro)methyl]-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridine?
The InChIKey is QQPKMLCWLHYKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2N3O/c1-10-7-13(16(17,18)19)14-15(21-10)22(9-20-14)8-11-3-5-12(23-2)6-4-11/h3-7,9H,8H2,1-2H3.
What are the key properties of 7-[chloro(difluoro)methyl]-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridine?
7-[chloro(difluoro)methyl]-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridine has a molecular weight of 337.76 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[chloro(difluoro)methyl]-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 53243110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).