5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid

C18H14F2N4O3 — CID 154690778

IUPAC5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid
SMILESCc1nn(C(F)F)c(C)c1-c1cnn2ccc(-c3cc(C(=O)O)co3)cc12
InChIInChI=1S/C18H14F2N4O3/c1-9-16(10(2)24(22-9)18(19)20)13-7-21-23-4-3-11(5-14(13)23)15-6-12(8-27-15)17(25)26/h3-8,18H,1-2H3,(H,25,26)
InChIKeyWXUITSNGZBECDS-UHFFFAOYSA-N
MW372.33 g/mol
LogP4.17
Rot. Bonds4

About 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid

5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid (PubChem CID 154690778) has the molecular formula C18H14F2N4O3 and a molecular weight of 372.33 g/mol. Its IUPAC name is 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid
PubChem CID154690778
Molecular FormulaC18H14F2N4O3
Molecular Weight372.33 g/mol
Exact Mass372.10
IUPAC Name5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid
SMILESCc1nn(C(F)F)c(C)c1-c1cnn2ccc(-c3cc(C(=O)O)co3)cc12
InChIInChI=1S/C18H14F2N4O3/c1-9-16(10(2)24(22-9)18(19)20)13-7-21-23-4-3-11(5-14(13)23)15-6-12(8-27-15)17(25)26/h3-8,18H,1-2H3,(H,25,26)
InChIKeyWXUITSNGZBECDS-UHFFFAOYSA-N
XLogP4.17
TPSA85.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.33
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid?
The IUPAC name of 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid (CID 154690778) is 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid?
The canonical SMILES for 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid is Cc1nn(C(F)F)c(C)c1-c1cnn2ccc(-c3cc(C(=O)O)co3)cc12.
What is the InChIKey of 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid?
The InChIKey is WXUITSNGZBECDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O3/c1-9-16(10(2)24(22-9)18(19)20)13-7-21-23-4-3-11(5-14(13)23)15-6-12(8-27-15)17(25)26/h3-8,18H,1-2H3,(H,25,26).
What are the key properties of 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid?
5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid has a molecular weight of 372.33 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid is sourced from PubChem (CID 154690778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).