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

C15H10ClF3N4O2 — CID 22484979

IUPAC3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid
SMILESCc1nc2ccc(C(=O)O)nc2n1Cc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H10ClF3N4O2/c1-7-21-10-2-3-11(14(24)25)22-13(10)23(7)6-12-9(16)4-8(5-20-12)15(17,18)19/h2-5H,6H2,1H3,(H,24,25)
InChIKeyIJUBXVRMSPUTIB-UHFFFAOYSA-N
MW370.72 g/mol
LogP3.55
Rot. Bonds3

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

3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid (PubChem CID 22484979) has the molecular formula C15H10ClF3N4O2 and a molecular weight of 370.72 g/mol. Its IUPAC name is 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid
PubChem CID22484979
Molecular FormulaC15H10ClF3N4O2
Molecular Weight370.72 g/mol
Exact Mass370.04
IUPAC Name3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid
SMILESCc1nc2ccc(C(=O)O)nc2n1Cc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H10ClF3N4O2/c1-7-21-10-2-3-11(14(24)25)22-13(10)23(7)6-12-9(16)4-8(5-20-12)15(17,18)19/h2-5H,6H2,1H3,(H,24,25)
InChIKeyIJUBXVRMSPUTIB-UHFFFAOYSA-N
XLogP3.55
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.72
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-Pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 146315981
4-(5-chloropyridin-3-yl)-3-[(4-methylcyclohexyl)methyl]-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridine-6-carboxylic acid
CID 90236161
2-(6-Chloroimidazo[1,2-a]pyridin-2-yl)benzenecarboxylic acid
CID 16195721
4-(2-ethyl-3H-imidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 20887719
4-(5-Chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(pyridin-2-ylamino)imidazo[4,5-c]pyridine-6-carboxylic acid
CID 76287752
4-(5-chloropyridin-3-yl)-3-[(trans-4-methylcyclohexyl)methyl]-2-[methyl(phenyl)amino]-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 76287754
4-[[(1R)-1-cyclobutylethyl]amino]-2-(4-propan-2-ylpyridin-2-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]pyridine-6-carboxylic acid
CID 90235975
4-(5-chloro-3-pyridinyl)-2-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine-6-carboxylic acid
CID 90236269
1-[(4-Chloro-2,6-difluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid
CID 45483851
rac-5-(2-(2-(4-chlorophenyl)-5,6-difluoro-1H-benzo[d]imidazol-1-yl)-2-cyclohexylacetamido)picolinic acid
CID 53322282
1-(3-Chloro-2,6-difluorobenzyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic Acid
CID 44549388
3-methyl-3H-imidazo(4,5-b)pyridine-5-carboxylic acid
CID 84038463

Frequently Asked Questions

What is the IUPAC name of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid?
The IUPAC name of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid (CID 22484979) is 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid?
The canonical SMILES for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid is Cc1nc2ccc(C(=O)O)nc2n1Cc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid?
The InChIKey is IJUBXVRMSPUTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N4O2/c1-7-21-10-2-3-11(14(24)25)22-13(10)23(7)6-12-9(16)4-8(5-20-12)15(17,18)19/h2-5H,6H2,1H3,(H,24,25).
What are the key properties of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid?
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid has a molecular weight of 370.72 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 22484979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).