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

C24H23F3N4O4 — CID 154690927

IUPAC5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-2-(oxan-4-yl)furan-3-carboxylic acid
SMILESCc1nn(CC(F)(F)F)c(C)c1-c1cnn2ccc(-c3cc(C(=O)O)c(C4CCOCC4)o3)cc12
InChIInChI=1S/C24H23F3N4O4/c1-13-21(14(2)31(29-13)12-24(25,26)27)18-11-28-30-6-3-16(9-19(18)30)20-10-17(23(32)33)22(35-20)15-4-7-34-8-5-15/h3,6,9-11,15H,4-5,7-8,12H2,1-2H3,(H,32,33)
InChIKeyWYWFBMJEGFUCEM-UHFFFAOYSA-N
MW488.47 g/mol
LogP5.23
Rot. Bonds5

About 5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-2-(oxan-4-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]-2-(oxan-4-yl)furan-3-carboxylic acid (PubChem CID 154690927) has the molecular formula C24H23F3N4O4 and a molecular weight of 488.47 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]-2-(oxan-4-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]-2-(oxan-4-yl)furan-3-carboxylic acid
PubChem CID154690927
Molecular FormulaC24H23F3N4O4
Molecular Weight488.47 g/mol
Exact Mass488.17
IUPAC Name5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-2-(oxan-4-yl)furan-3-carboxylic acid
SMILESCc1nn(CC(F)(F)F)c(C)c1-c1cnn2ccc(-c3cc(C(=O)O)c(C4CCOCC4)o3)cc12
InChIInChI=1S/C24H23F3N4O4/c1-13-21(14(2)31(29-13)12-24(25,26)27)18-11-28-30-6-3-16(9-19(18)30)20-10-17(23(32)33)22(35-20)15-4-7-34-8-5-15/h3,6,9-11,15H,4-5,7-8,12H2,1-2H3,(H,32,33)
InChIKeyWYWFBMJEGFUCEM-UHFFFAOYSA-N
XLogP5.23
TPSA94.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.47
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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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]-2-(oxan-4-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]-2-(oxan-4-yl)furan-3-carboxylic acid (CID 154690927) is 5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-2-(oxan-4-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]-2-(oxan-4-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]-2-(oxan-4-yl)furan-3-carboxylic acid is Cc1nn(CC(F)(F)F)c(C)c1-c1cnn2ccc(-c3cc(C(=O)O)c(C4CCOCC4)o3)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]-2-(oxan-4-yl)furan-3-carboxylic acid?
The InChIKey is WYWFBMJEGFUCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O4/c1-13-21(14(2)31(29-13)12-24(25,26)27)18-11-28-30-6-3-16(9-19(18)30)20-10-17(23(32)33)22(35-20)15-4-7-34-8-5-15/h3,6,9-11,15H,4-5,7-8,12H2,1-2H3,(H,32,33).
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]-2-(oxan-4-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]-2-(oxan-4-yl)furan-3-carboxylic acid has a molecular weight of 488.47 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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]-2-(oxan-4-yl)furan-3-carboxylic acid is sourced from PubChem (CID 154690927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).