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

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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).