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

C24H21F3N4O4 — CID 154690762

IUPAC2-(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
SMILESCc1nn(CC(F)(F)F)c(C)c1-c1cnn2ccc(-c3cc(C(=O)O)c(C4=CCOCC4)o3)cc12
InChIInChI=1S/C24H21F3N4O4/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/h3-4,6,9-11H,5,7-8,12H2,1-2H3,(H,32,33)
InChIKeyHHXOYPQFZVXRSH-UHFFFAOYSA-N
MW486.45 g/mol
LogP5.14
Rot. Bonds5

About 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

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 (PubChem CID 154690762) has the molecular formula C24H21F3N4O4 and a molecular weight of 486.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID154690762
Molecular FormulaC24H21F3N4O4
Molecular Weight486.45 g/mol
Exact Mass486.15
IUPAC Name2-(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
SMILESCc1nn(CC(F)(F)F)c(C)c1-c1cnn2ccc(-c3cc(C(=O)O)c(C4=CCOCC4)o3)cc12
InChIInChI=1S/C24H21F3N4O4/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/h3-4,6,9-11H,5,7-8,12H2,1-2H3,(H,32,33)
InChIKeyHHXOYPQFZVXRSH-UHFFFAOYSA-N
XLogP5.14
TPSA94.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.45
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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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
2-Cyclohexyl-1,3,4-trimethyl-8-(5-methyl-2-furyl)-2H-dipyrrolo[1,2-B:3,4-D]pyridazine
CID 5131399
[2-(4-Fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 2-methoxybenzoate
CID 10297820
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
5-[3-[1-Methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid
CID 154690756
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nn(CC(F)(F)F)c(C)c1-c1cnn2ccc(-c3cc(C(=O)O)c(C4=CCOCC4)o3)cc12.
What is the InChIKey of 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?
The InChIKey is HHXOYPQFZVXRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O4/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/h3-4,6,9-11H,5,7-8,12H2,1-2H3,(H,32,33).
What are the key properties of 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?
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 has a molecular weight of 486.45 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 154690762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).