6-[2-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]phenyl]phenyl]pyridine-2-carboxylic acid

C27H17F3N4O2 — CID 58836166

IUPAC6-[2-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]phenyl]phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2ccccc2-c2ccccc2-c2cccc(-c3cc(C(F)(F)F)[nH]n3)n2)n1
InChIInChI=1S/C27H17F3N4O2/c28-27(29,30)25-15-24(33-34-25)22-13-5-11-20(31-22)18-9-3-1-7-16(18)17-8-2-4-10-19(17)21-12-6-14-23(32-21)26(35)36/h1-15H,(H,33,34)(H,35,36)
InChIKeyHXBCZLLVBJVNHR-UHFFFAOYSA-N
MW486.45 g/mol
LogP6.58
Rot. Bonds5

About 6-[2-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]phenyl]phenyl]pyridine-2-carboxylic acid

6-[2-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]phenyl]phenyl]pyridine-2-carboxylic acid (PubChem CID 58836166) has the molecular formula C27H17F3N4O2 and a molecular weight of 486.45 g/mol. Its IUPAC name is 6-[2-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]phenyl]phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]phenyl]phenyl]pyridine-2-carboxylic acid
PubChem CID58836166
Molecular FormulaC27H17F3N4O2
Molecular Weight486.45 g/mol
Exact Mass486.13
IUPAC Name6-[2-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]phenyl]phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2ccccc2-c2ccccc2-c2cccc(-c3cc(C(F)(F)F)[nH]n3)n2)n1
InChIInChI=1S/C27H17F3N4O2/c28-27(29,30)25-15-24(33-34-25)22-13-5-11-20(31-22)18-9-3-1-7-16(18)17-8-2-4-10-19(17)21-12-6-14-23(32-21)26(35)36/h1-15H,(H,33,34)(H,35,36)
InChIKeyHXBCZLLVBJVNHR-UHFFFAOYSA-N
XLogP6.58
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.45
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)benzoic acid
CID 45487437
3-[2-(4-fluorophenyl)quinolin-4-yl]-1H-pyrazole-5-carboxylic acid
CID 20854907
3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid
CID 23070158
6-[2-[2-[6-[3-(Trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]phenyl]phenyl]pyridine-2-carboxylic acid;ZINC
CID 58836165
3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid
CID 59797192
3-[2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid
CID 68931806
6-[1-[2-[3,5-Bis(difluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-3-cyclohexylpyridine-2-carboxylic acid
CID 89483668
6-[3-(Trifluoromethyl)-1H-pyrazol-4-yl]-2-pyridinecarboxylic acid
CID 118173124
4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]benzoic acid
CID 134327583
6-[[6-Methyl-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 149556468
6-[[3-[2-(4-Fluorophenyl)-5-[(prop-2-enoylamino)methyl]-4-pyridinyl]pyrazol-1-yl]methyl]pyridine-2-carboxylic acid
CID 168964965
6-[[3-[5-(Aminomethyl)-2-(4-fluorophenyl)-4-pyridinyl]pyrazol-1-yl]methyl]pyridine-2-carboxylic acid
CID 168965100

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]phenyl]phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]phenyl]phenyl]pyridine-2-carboxylic acid (CID 58836166) is 6-[2-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]phenyl]phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]phenyl]phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]phenyl]phenyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(-c2ccccc2-c2ccccc2-c2cccc(-c3cc(C(F)(F)F)[nH]n3)n2)n1.
What is the InChIKey of 6-[2-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]phenyl]phenyl]pyridine-2-carboxylic acid?
The InChIKey is HXBCZLLVBJVNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17F3N4O2/c28-27(29,30)25-15-24(33-34-25)22-13-5-11-20(31-22)18-9-3-1-7-16(18)17-8-2-4-10-19(17)21-12-6-14-23(32-21)26(35)36/h1-15H,(H,33,34)(H,35,36).
What are the key properties of 6-[2-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]phenyl]phenyl]pyridine-2-carboxylic acid?
6-[2-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]phenyl]phenyl]pyridine-2-carboxylic acid has a molecular weight of 486.45 g/mol, XLogP of 6.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]phenyl]phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 58836166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).