6-[(6-imidazol-1-ylpyrazine-2-carbonyl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid

C15H9F3N6O3 — CID 167905668

IUPAC6-[(6-imidazol-1-ylpyrazine-2-carbonyl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(NC(=O)c2cncc(-n3ccnc3)n2)c(C(F)(F)F)c1
InChIInChI=1S/C15H9F3N6O3/c16-15(17,18)9-3-8(14(26)27)4-21-12(9)23-13(25)10-5-20-6-11(22-10)24-2-1-19-7-24/h1-7H,(H,26,27)(H,21,23,25)
InChIKeySQJFXBNJYNIMEG-UHFFFAOYSA-N
MW378.27 g/mol
LogP2.03
Rot. Bonds4

About 6-[(6-imidazol-1-ylpyrazine-2-carbonyl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid

6-[(6-imidazol-1-ylpyrazine-2-carbonyl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 167905668) has the molecular formula C15H9F3N6O3 and a molecular weight of 378.27 g/mol. Its IUPAC name is 6-[(6-imidazol-1-ylpyrazine-2-carbonyl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(6-imidazol-1-ylpyrazine-2-carbonyl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID167905668
Molecular FormulaC15H9F3N6O3
Molecular Weight378.27 g/mol
Exact Mass378.07
IUPAC Name6-[(6-imidazol-1-ylpyrazine-2-carbonyl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(NC(=O)c2cncc(-n3ccnc3)n2)c(C(F)(F)F)c1
InChIInChI=1S/C15H9F3N6O3/c16-15(17,18)9-3-8(14(26)27)4-21-12(9)23-13(25)10-5-20-6-11(22-10)24-2-1-19-7-24/h1-7H,(H,26,27)(H,21,23,25)
InChIKeySQJFXBNJYNIMEG-UHFFFAOYSA-N
XLogP2.03
TPSA122.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-imidazol-1-yl-N-propan-2-ylpyrazine-2-carboxamide
CID 166095150
6-imidazol-1-yl-N-[3-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 166208133
N-cyclohexyl-6-imidazol-1-ylpyrazine-2-carboxamide;difluoromethane;molecular hydrogen
CID 166481425
2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-(trifluoromethyl)benzoic acid
CID 139444181
2-imidazol-1-yl-N-pyridin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 170774168
6-imidazol-1-yl-N-phenylpyridine-2-carboxamide
CID 97260029
N-(2-imidazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 121112592
N-[[4-(1-aminoethyl)phenyl]methyl]-6-imidazol-1-ylpyrazine-2-carboxamide
CID 166363145
6-imidazol-1-yl-4-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-2-carboxamide
CID 166481283
6-imidazol-1-yl-N-[(3R)-oxan-3-yl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 170610880
N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122291399
N-(2,2-difluoro-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 104862732

Frequently Asked Questions

What is the IUPAC name of 6-[(6-imidazol-1-ylpyrazine-2-carbonyl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-[(6-imidazol-1-ylpyrazine-2-carbonyl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid (CID 167905668) is 6-[(6-imidazol-1-ylpyrazine-2-carbonyl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(6-imidazol-1-ylpyrazine-2-carbonyl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(6-imidazol-1-ylpyrazine-2-carbonyl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid is O=C(O)c1cnc(NC(=O)c2cncc(-n3ccnc3)n2)c(C(F)(F)F)c1.
What is the InChIKey of 6-[(6-imidazol-1-ylpyrazine-2-carbonyl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is SQJFXBNJYNIMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N6O3/c16-15(17,18)9-3-8(14(26)27)4-21-12(9)23-13(25)10-5-20-6-11(22-10)24-2-1-19-7-24/h1-7H,(H,26,27)(H,21,23,25).
What are the key properties of 6-[(6-imidazol-1-ylpyrazine-2-carbonyl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid?
6-[(6-imidazol-1-ylpyrazine-2-carbonyl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 378.27 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-imidazol-1-ylpyrazine-2-carbonyl)amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 167905668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).