2-[3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid

C17H12F3N5O3 — CID 154690798

IUPAC2-[3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid
SMILESCc1c(-c2cnn3ccc(-c4nc(C(=O)O)co4)cc23)c(C(F)(F)F)nn1C
InChIInChI=1S/C17H12F3N5O3/c1-8-13(14(17(18,19)20)23-24(8)2)10-6-21-25-4-3-9(5-12(10)25)15-22-11(7-28-15)16(26)27/h3-7H,1-2H3,(H,26,27)
InChIKeyAPANGCGYDCOTDV-UHFFFAOYSA-N
MW391.31 g/mol
LogP3.42
Rot. Bonds3

About 2-[3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid

2-[3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid (PubChem CID 154690798) has the molecular formula C17H12F3N5O3 and a molecular weight of 391.31 g/mol. Its IUPAC name is 2-[3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid
PubChem CID154690798
Molecular FormulaC17H12F3N5O3
Molecular Weight391.31 g/mol
Exact Mass391.09
IUPAC Name2-[3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid
SMILESCc1c(-c2cnn3ccc(-c4nc(C(=O)O)co4)cc23)c(C(F)(F)F)nn1C
InChIInChI=1S/C17H12F3N5O3/c1-8-13(14(17(18,19)20)23-24(8)2)10-6-21-25-4-3-9(5-12(10)25)15-22-11(7-28-15)16(26)27/h3-7H,1-2H3,(H,26,27)
InChIKeyAPANGCGYDCOTDV-UHFFFAOYSA-N
XLogP3.42
TPSA98.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 162648829
CID 162648829
CID 169934571
CID 169934571
CID 22084823
CID 22084823
CID 71016642
CID 71016642
CID 138694149
CID 138694149
CID 138695301
CID 138695301
CID 138695303
CID 138695303
CID 150599628
CID 150599628
CID 154690739
CID 154690739
CID 154690756
CID 154690756
CID 154690762
CID 154690762
CID 154690778
CID 154690778

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid (CID 154690798) is 2-[3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid is Cc1c(-c2cnn3ccc(-c4nc(C(=O)O)co4)cc23)c(C(F)(F)F)nn1C.
What is the InChIKey of 2-[3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is APANGCGYDCOTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5O3/c1-8-13(14(17(18,19)20)23-24(8)2)10-6-21-25-4-3-9(5-12(10)25)15-22-11(7-28-15)16(26)27/h3-7H,1-2H3,(H,26,27).
What are the key properties of 2-[3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid?
2-[3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 391.31 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 154690798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).