5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid

C17H11F3N4O3 — CID 154690756

IUPAC5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid
SMILESCn1cc(-c2cnn3ccc(-c4cc(C(=O)O)co4)cc23)c(C(F)(F)F)n1
InChIInChI=1S/C17H11F3N4O3/c1-23-7-12(15(22-23)17(18,19)20)11-6-21-24-3-2-9(4-13(11)24)14-5-10(8-27-14)16(25)26/h2-8H,1H3,(H,25,26)
InChIKeyDHEPKQNLLRQBHB-UHFFFAOYSA-N
MW376.29 g/mol
LogP3.71
Rot. Bonds3

About 5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid

5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid (PubChem CID 154690756) has the molecular formula C17H11F3N4O3 and a molecular weight of 376.29 g/mol. Its IUPAC name is 5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid
PubChem CID154690756
Molecular FormulaC17H11F3N4O3
Molecular Weight376.29 g/mol
Exact Mass376.08
IUPAC Name5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid
SMILESCn1cc(-c2cnn3ccc(-c4cc(C(=O)O)co4)cc23)c(C(F)(F)F)n1
InChIInChI=1S/C17H11F3N4O3/c1-23-7-12(15(22-23)17(18,19)20)11-6-21-24-3-2-9(4-13(11)24)14-5-10(8-27-14)16(25)26/h2-8H,1H3,(H,25,26)
InChIKeyDHEPKQNLLRQBHB-UHFFFAOYSA-N
XLogP3.71
TPSA85.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,2,3,4-Tetramethyl-8-(5-methyl-2-furyl)-2H-dipyrrolo[1,2-B:3,4-D]pyridazine
CID 2979291
7-(furan-2-yl)-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline;2,2,2-trifluoroacetic acid
CID 10005865
5-[3-Amino-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-6-yl]furan-3-carboxylic acid
CID 137551933
6-[2-methyl-5-(trifluoromethoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 148218736
Methyl 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-2-carboxylate
CID 154690752
2-(3,6-dihydro-2H-pyran-4-yl)-5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid
CID 154690762
5-[3-[1-(Difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid
CID 154690778
Ethyl 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-2-(oxan-4-yl)furan-3-carboxylate
CID 154690784
Ethyl 5-[3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate
CID 154690788
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
Ethyl 5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate
CID 154690824
5-[3-[3,5-Dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid
CID 154690836

Frequently Asked Questions

What is the IUPAC name of 5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid?
The IUPAC name of 5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid (CID 154690756) is 5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid?
The canonical SMILES for 5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid is Cn1cc(-c2cnn3ccc(-c4cc(C(=O)O)co4)cc23)c(C(F)(F)F)n1.
What is the InChIKey of 5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid?
The InChIKey is DHEPKQNLLRQBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O3/c1-23-7-12(15(22-23)17(18,19)20)11-6-21-24-3-2-9(4-13(11)24)14-5-10(8-27-14)16(25)26/h2-8H,1H3,(H,25,26).
What are the key properties of 5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid?
5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid has a molecular weight of 376.29 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid is sourced from PubChem (CID 154690756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).