5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-2-(3,6-dihydro-2H-pyran-4-yl)furan-3-carboxylic acid

C23H20F2N4O4 — CID 154690944

IUPAC5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-2-(3,6-dihydro-2H-pyran-4-yl)furan-3-carboxylic acid
SMILESCc1nn(C(F)F)c(C)c1-c1cnn2ccc(-c3cc(C(=O)O)c(C4=CCOCC4)o3)cc12
InChIInChI=1S/C23H20F2N4O4/c1-12-20(13(2)29(27-12)23(24)25)17-11-26-28-6-3-15(9-18(17)28)19-10-16(22(30)31)21(33-19)14-4-7-32-8-5-14/h3-4,6,9-11,23H,5,7-8H2,1-2H3,(H,30,31)
InChIKeyKGNAHGBFHIMSEM-UHFFFAOYSA-N
MW454.43 g/mol
LogP4.97
Rot. Bonds5

About 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-2-(3,6-dihydro-2H-pyran-4-yl)furan-3-carboxylic acid

5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-2-(3,6-dihydro-2H-pyran-4-yl)furan-3-carboxylic acid (PubChem CID 154690944) has the molecular formula C23H20F2N4O4 and a molecular weight of 454.43 g/mol. Its IUPAC name is 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-2-(3,6-dihydro-2H-pyran-4-yl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-2-(3,6-dihydro-2H-pyran-4-yl)furan-3-carboxylic acid
PubChem CID154690944
Molecular FormulaC23H20F2N4O4
Molecular Weight454.43 g/mol
Exact Mass454.15
IUPAC Name5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-2-(3,6-dihydro-2H-pyran-4-yl)furan-3-carboxylic acid
SMILESCc1nn(C(F)F)c(C)c1-c1cnn2ccc(-c3cc(C(=O)O)c(C4=CCOCC4)o3)cc12
InChIInChI=1S/C23H20F2N4O4/c1-12-20(13(2)29(27-12)23(24)25)17-11-26-28-6-3-15(9-18(17)28)19-10-16(22(30)31)21(33-19)14-4-7-32-8-5-14/h3-4,6,9-11,23H,5,7-8H2,1-2H3,(H,30,31)
InChIKeyKGNAHGBFHIMSEM-UHFFFAOYSA-N
XLogP4.97
TPSA94.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.43
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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]-2-(3,6-dihydro-2H-pyran-4-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]-2-(3,6-dihydro-2H-pyran-4-yl)furan-3-carboxylic acid (CID 154690944) is 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-2-(3,6-dihydro-2H-pyran-4-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]-2-(3,6-dihydro-2H-pyran-4-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]-2-(3,6-dihydro-2H-pyran-4-yl)furan-3-carboxylic acid is Cc1nn(C(F)F)c(C)c1-c1cnn2ccc(-c3cc(C(=O)O)c(C4=CCOCC4)o3)cc12.
What is the InChIKey of 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-2-(3,6-dihydro-2H-pyran-4-yl)furan-3-carboxylic acid?
The InChIKey is KGNAHGBFHIMSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O4/c1-12-20(13(2)29(27-12)23(24)25)17-11-26-28-6-3-15(9-18(17)28)19-10-16(22(30)31)21(33-19)14-4-7-32-8-5-14/h3-4,6,9-11,23H,5,7-8H2,1-2H3,(H,30,31).
What are the key properties of 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-2-(3,6-dihydro-2H-pyran-4-yl)furan-3-carboxylic acid?
5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-2-(3,6-dihydro-2H-pyran-4-yl)furan-3-carboxylic acid has a molecular weight of 454.43 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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]-2-(3,6-dihydro-2H-pyran-4-yl)furan-3-carboxylic acid is sourced from PubChem (CID 154690944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).