methyl 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate

C16H12ClF3N4O2 — CID 22485064

IUPACmethyl 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc2c(n1)nc(C)n2Cc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C16H12ClF3N4O2/c1-8-22-14-13(4-3-11(23-14)15(25)26-2)24(8)7-12-10(17)5-9(6-21-12)16(18,19)20/h3-6H,7H2,1-2H3
InChIKeyPIDQISFVUOCXBC-UHFFFAOYSA-N
MW384.75 g/mol
LogP3.64
Rot. Bonds3

About methyl 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate

methyl 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate (PubChem CID 22485064) has the molecular formula C16H12ClF3N4O2 and a molecular weight of 384.75 g/mol. Its IUPAC name is methyl 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
PubChem CID22485064
Molecular FormulaC16H12ClF3N4O2
Molecular Weight384.75 g/mol
Exact Mass384.06
IUPAC Namemethyl 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc2c(n1)nc(C)n2Cc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C16H12ClF3N4O2/c1-8-22-14-13(4-3-11(23-14)15(25)26-2)24(8)7-12-10(17)5-9(6-21-12)16(18,19)20/h3-6H,7H2,1-2H3
InChIKeyPIDQISFVUOCXBC-UHFFFAOYSA-N
XLogP3.64
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.75
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate with MolForge

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Related Compounds

methyl 2-methyl-1-[(2,3,4-trichlorophenyl)methyl]imidazo[4,5-b]pyridine-5-carboxylate
CID 22388013
methyl 1-[(2,5-dichlorothiophen-3-yl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
CID 22388041
methyl 3-[(3,5-dichloro-2-pyridinyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
CID 22485014
methyl 1-[(2-chloro-4-thiophen-2-ylphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
CID 22388065
5-chloro-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methylimidazole-4-carbaldehyde
CID 22058568
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide
CID 22485067
methyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]benzoate
CID 75175960
6-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,7-dimethylbenzimidazol-5-yl]-3-ethylpyridine-2-carboxylic acid
CID 70019640
1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]ethanone
CID 71627819
[(2R)-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methoxy-1-oxopropan-2-yl]azanium
CID 7097279
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-oxobutan-2-ylideneamino)acetamide
CID 4679895
[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl] 4-methoxybenzoate
CID 1477319

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate?
The IUPAC name of methyl 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate (CID 22485064) is methyl 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate is COC(=O)c1ccc2c(n1)nc(C)n2Cc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of methyl 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate?
The InChIKey is PIDQISFVUOCXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N4O2/c1-8-22-14-13(4-3-11(23-14)15(25)26-2)24(8)7-12-10(17)5-9(6-21-12)16(18,19)20/h3-6H,7H2,1-2H3.
What are the key properties of methyl 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate?
methyl 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate has a molecular weight of 384.75 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate is sourced from PubChem (CID 22485064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).