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

C20H17F3N4O3 — CID 154690788

IUPACethyl 5-[3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate
SMILESCCOC(=O)c1coc(-c2ccn3ncc(-c4c(C(F)(F)F)nn(C)c4C)c3c2)c1
InChIInChI=1S/C20H17F3N4O3/c1-4-29-19(28)13-8-16(30-10-13)12-5-6-27-15(7-12)14(9-24-27)17-11(2)26(3)25-18(17)20(21,22)23/h5-10H,4H2,1-3H3
InChIKeyOQOSWJGLTJRLBG-UHFFFAOYSA-N
MW418.38 g/mol
LogP4.50
Rot. Bonds4

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

ethyl 5-[3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate (PubChem CID 154690788) has the molecular formula C20H17F3N4O3 and a molecular weight of 418.38 g/mol. Its IUPAC name is ethyl 5-[3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate
PubChem CID154690788
Molecular FormulaC20H17F3N4O3
Molecular Weight418.38 g/mol
Exact Mass418.13
IUPAC Nameethyl 5-[3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate
SMILESCCOC(=O)c1coc(-c2ccn3ncc(-c4c(C(F)(F)F)nn(C)c4C)c3c2)c1
InChIInChI=1S/C20H17F3N4O3/c1-4-29-19(28)13-8-16(30-10-13)12-5-6-27-15(7-12)14(9-24-27)17-11(2)26(3)25-18(17)20(21,22)23/h5-10H,4H2,1-3H3
InChIKeyOQOSWJGLTJRLBG-UHFFFAOYSA-N
XLogP4.50
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 2979291
2-Cyclohexyl-1,3,4-trimethyl-8-(5-methyl-2-furyl)-2H-dipyrrolo[1,2-B:3,4-D]pyridazine
CID 5131399
7-(furan-2-yl)-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline;2,2,2-trifluoroacetic acid
CID 10005865
[2-(4-Fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 2-methoxybenzoate
CID 10297820
4-[4-(2-Methylpyrazol-3-yl)-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine
CID 118539959
6-(2,4-Dimethylfuran-3-yl)-1-(1-pyridin-2-ylethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridine
CID 130278149
5-[3-Amino-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-6-yl]furan-3-carboxylic acid
CID 137551933
1-(5-Fluorocyclohepta-1,4,6-trien-1-yl)-5-[2,2,2-trifluoro-1-[6-(furan-2-yl)-1-methylindol-3-yl]ethyl]indazole
CID 143372396
Methyl 3-(1-benzofuran-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carboxylate
CID 147763187
Lithium 3-(1-benzofuran-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carboxylate
CID 153568788
Methyl 3-(1-benzofuran-3-yl)-1-(2,2-difluoroethyl)pyrazolo[4,3-c]pyridine-6-carboxylate
CID 153568886
Methyl 5-[3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-2-carboxylate
CID 154690752

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate?
The IUPAC name of ethyl 5-[3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate (CID 154690788) is ethyl 5-[3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate.
What is the SMILES notation for ethyl 5-[3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate?
The canonical SMILES for ethyl 5-[3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate is CCOC(=O)c1coc(-c2ccn3ncc(-c4c(C(F)(F)F)nn(C)c4C)c3c2)c1.
What is the InChIKey of ethyl 5-[3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate?
The InChIKey is OQOSWJGLTJRLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O3/c1-4-29-19(28)13-8-16(30-10-13)12-5-6-27-15(7-12)14(9-24-27)17-11(2)26(3)25-18(17)20(21,22)23/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 5-[3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate?
ethyl 5-[3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate has a molecular weight of 418.38 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[3-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate is sourced from PubChem (CID 154690788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).