5-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid

C15H13F3N4O4 — CID 70777409

IUPAC5-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
SMILESO=C(O)C1c2nc[nH]c2CCN1C(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C15H13F3N4O4/c16-15(17,18)8-1-2-10(23)21(5-8)6-11(24)22-4-3-9-12(20-7-19-9)13(22)14(25)26/h1-2,5,7,13H,3-4,6H2,(H,19,20)(H,25,26)
InChIKeyOCBCMEVBZUMDLK-UHFFFAOYSA-N
MW370.29 g/mol
LogP0.80
Rot. Bonds3

About 5-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid

5-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid (PubChem CID 70777409) has the molecular formula C15H13F3N4O4 and a molecular weight of 370.29 g/mol. Its IUPAC name is 5-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
PubChem CID70777409
Molecular FormulaC15H13F3N4O4
Molecular Weight370.29 g/mol
Exact Mass370.09
IUPAC Name5-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
SMILESO=C(O)C1c2nc[nH]c2CCN1C(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C15H13F3N4O4/c16-15(17,18)8-1-2-10(23)21(5-8)6-11(24)22-4-3-9-12(20-7-19-9)13(22)14(25)26/h1-2,5,7,13H,3-4,6H2,(H,19,20)(H,25,26)
InChIKeyOCBCMEVBZUMDLK-UHFFFAOYSA-N
XLogP0.80
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid
CID 702585
(4R)-5-[3-[(2-fluorobenzoyl)amino]propanoyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 95893975
(4R)-5-[2-(1-methylindol-3-yl)sulfanylacetyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 97438372
1-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 39958651
(4S)-5-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 97193889
tert-butyl 4-[4-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
CID 57326111
2-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 126824721
5-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 70787298
5-(5-ethylsulfanylthiophene-2-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 72908044
1-(2-oxo-2-phenothiazin-10-ylethyl)-5-(trifluoromethyl)pyridin-2-one
CID 38846288
1-[2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 86915465
(4R)-5-(5-propylthiophene-3-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 95873195

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
The IUPAC name of 5-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid (CID 70777409) is 5-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
The canonical SMILES for 5-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid is O=C(O)C1c2nc[nH]c2CCN1C(=O)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 5-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
The InChIKey is OCBCMEVBZUMDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O4/c16-15(17,18)8-1-2-10(23)21(5-8)6-11(24)22-4-3-9-12(20-7-19-9)13(22)14(25)26/h1-2,5,7,13H,3-4,6H2,(H,19,20)(H,25,26).
What are the key properties of 5-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
5-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid has a molecular weight of 370.29 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 70777409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).