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

C19H15F3N4O3 — CID 154690836

IUPAC5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid
SMILESCc1nn(CC(F)(F)F)c(C)c1-c1cnn2ccc(-c3cc(C(=O)O)co3)cc12
InChIInChI=1S/C19H15F3N4O3/c1-10-17(11(2)26(24-10)9-19(20,21)22)14-7-23-25-4-3-12(5-15(14)25)16-6-13(8-29-16)18(27)28/h3-8H,9H2,1-2H3,(H,27,28)
InChIKeyAIHOJUYAEVOTTP-UHFFFAOYSA-N
MW404.35 g/mol
LogP4.34
Rot. Bonds4

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

5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid (PubChem CID 154690836) has the molecular formula C19H15F3N4O3 and a molecular weight of 404.35 g/mol. Its IUPAC name is 5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid
PubChem CID154690836
Molecular FormulaC19H15F3N4O3
Molecular Weight404.35 g/mol
Exact Mass404.11
IUPAC Name5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid
SMILESCc1nn(CC(F)(F)F)c(C)c1-c1cnn2ccc(-c3cc(C(=O)O)co3)cc12
InChIInChI=1S/C19H15F3N4O3/c1-10-17(11(2)26(24-10)9-19(20,21)22)14-7-23-25-4-3-12(5-15(14)25)16-6-13(8-29-16)18(27)28/h3-8H,9H2,1-2H3,(H,27,28)
InChIKeyAIHOJUYAEVOTTP-UHFFFAOYSA-N
XLogP4.34
TPSA85.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.35
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid?
The IUPAC name of 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) is 5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid?
The canonical SMILES for 5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid is Cc1nn(CC(F)(F)F)c(C)c1-c1cnn2ccc(-c3cc(C(=O)O)co3)cc12.
What is the InChIKey of 5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid?
The InChIKey is AIHOJUYAEVOTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O3/c1-10-17(11(2)26(24-10)9-19(20,21)22)14-7-23-25-4-3-12(5-15(14)25)16-6-13(8-29-16)18(27)28/h3-8H,9H2,1-2H3,(H,27,28).
What are the key properties of 5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid?
5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid has a molecular weight of 404.35 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid is sourced from PubChem (CID 154690836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).