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

C21H19F3N4O3 — CID 154690824

IUPACethyl 5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate
SMILESCCOC(=O)c1coc(-c2ccn3ncc(-c4c(C)nn(CC(F)(F)F)c4C)c3c2)c1
InChIInChI=1S/C21H19F3N4O3/c1-4-30-20(29)15-8-18(31-10-15)14-5-6-27-17(7-14)16(9-25-27)19-12(2)26-28(13(19)3)11-21(22,23)24/h5-10H,4,11H2,1-3H3
InChIKeyUIJSIRQGXUVDBH-UHFFFAOYSA-N
MW432.40 g/mol
LogP4.81
Rot. Bonds5

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

ethyl 5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate (PubChem CID 154690824) has the molecular formula C21H19F3N4O3 and a molecular weight of 432.40 g/mol. Its IUPAC name is ethyl 5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate
PubChem CID154690824
Molecular FormulaC21H19F3N4O3
Molecular Weight432.40 g/mol
Exact Mass432.14
IUPAC Nameethyl 5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate
SMILESCCOC(=O)c1coc(-c2ccn3ncc(-c4c(C)nn(CC(F)(F)F)c4C)c3c2)c1
InChIInChI=1S/C21H19F3N4O3/c1-4-30-20(29)15-8-18(31-10-15)14-5-6-27-17(7-14)16(9-25-27)19-12(2)26-28(13(19)3)11-21(22,23)24/h5-10H,4,11H2,1-3H3
InChIKeyUIJSIRQGXUVDBH-UHFFFAOYSA-N
XLogP4.81
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

5-[7-[[4-[5-(4-carbamoylfuran-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-3,5-dimethylpyrazol-1-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid
CID 167062746
ethyl 5-(3-bromopyrazolo[1,5-a]pyridin-5-yl)furan-3-carboxylate;ethyl 5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate
CID 165028562
ethyl 4-cyclopropyl-2-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate
CID 154690972
5-[3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid
CID 154690729
ethyl 1-[3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-3-(trifluoromethyl)pyrazole-4-carboxylate
CID 154690934
ethyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]pyrazole-4-carboxylate
CID 154690893
ethyl 4-(difluoromethyl)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate
CID 154690936
4-methoxy-2-[3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxamide
CID 154690819
ethyl 5-(2-amino-4,6-dimethylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 176643568
ethyl 1-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-3-methoxypyrazole-4-carboxylate
CID 154690874
4-cyclopropyl-2-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid
CID 154690971
methyl 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-2-methylfuran-3-carboxylate
CID 154690969

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate?
The IUPAC name of 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) is ethyl 5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate.
What is the SMILES notation for ethyl 5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate?
The canonical SMILES for ethyl 5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate is CCOC(=O)c1coc(-c2ccn3ncc(-c4c(C)nn(CC(F)(F)F)c4C)c3c2)c1.
What is the InChIKey of ethyl 5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate?
The InChIKey is UIJSIRQGXUVDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O3/c1-4-30-20(29)15-8-18(31-10-15)14-5-6-27-17(7-14)16(9-25-27)19-12(2)26-28(13(19)3)11-21(22,23)24/h5-10H,4,11H2,1-3H3.
What are the key properties of ethyl 5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate?
ethyl 5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate has a molecular weight of 432.40 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate is sourced from PubChem (CID 154690824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).