6-[[6-chloro-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid

C21H13ClF3N3O2 — CID 123165587

IUPAC6-[[6-chloro-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Cc2c(-c3ccccc3C(F)(F)F)nn3cc(Cl)ccc23)n1
InChIInChI=1S/C21H13ClF3N3O2/c22-12-8-9-18-15(10-13-4-3-7-17(26-13)20(29)30)19(27-28(18)11-12)14-5-1-2-6-16(14)21(23,24)25/h1-9,11H,10H2,(H,29,30)
InChIKeyBKHRKBTWYGWGHD-UHFFFAOYSA-N
MW431.80 g/mol
LogP5.36
Rot. Bonds4

About 6-[[6-chloro-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid

6-[[6-chloro-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid (PubChem CID 123165587) has the molecular formula C21H13ClF3N3O2 and a molecular weight of 431.80 g/mol. Its IUPAC name is 6-[[6-chloro-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[6-chloro-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
PubChem CID123165587
Molecular FormulaC21H13ClF3N3O2
Molecular Weight431.80 g/mol
Exact Mass431.06
IUPAC Name6-[[6-chloro-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Cc2c(-c3ccccc3C(F)(F)F)nn3cc(Cl)ccc23)n1
InChIInChI=1S/C21H13ClF3N3O2/c22-12-8-9-18-15(10-13-4-3-7-17(26-13)20(29)30)19(27-28(18)11-12)14-5-1-2-6-16(14)21(23,24)25/h1-9,11H,10H2,(H,29,30)
InChIKeyBKHRKBTWYGWGHD-UHFFFAOYSA-N
XLogP5.36
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.80
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[[6-chloro-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid with MolForge

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Related Compounds

6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 158313941
methyl 6-[[6-chloro-2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
CID 123259065
methyl 6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
CID 159676255
6-[[6-(2-methylsulfonylethyl)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 86704894
methyl 6-[(6-amino-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate
CID 86704899
6-[[6-methyl-2-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 159391759
methyl 6-[6-methoxy-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate
CID 86704724
methyl 4-methyl-6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate
CID 147046443
6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylic acid
CID 11495634
6-(2,2,2-trifluoroethoxymethyl)pyridine-2-carboxylic acid
CID 106903249
4-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 53223943
6-(trifluoromethoxymethyl)pyridine-2-carboxylic acid
CID 107876690

Frequently Asked Questions

What is the IUPAC name of 6-[[6-chloro-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[6-chloro-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid (CID 123165587) is 6-[[6-chloro-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[6-chloro-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[6-chloro-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(Cc2c(-c3ccccc3C(F)(F)F)nn3cc(Cl)ccc23)n1.
What is the InChIKey of 6-[[6-chloro-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid?
The InChIKey is BKHRKBTWYGWGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClF3N3O2/c22-12-8-9-18-15(10-13-4-3-7-17(26-13)20(29)30)19(27-28(18)11-12)14-5-1-2-6-16(14)21(23,24)25/h1-9,11H,10H2,(H,29,30).
What are the key properties of 6-[[6-chloro-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid?
6-[[6-chloro-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid has a molecular weight of 431.80 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-chloro-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 123165587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).