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

C18H13F3N4O3 — CID 154690897

IUPACmethyl 5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate
SMILESCOC(=O)c1coc(-c2ccn3ncc(-c4cn(C)nc4C(F)(F)F)c3c2)c1
InChIInChI=1S/C18H13F3N4O3/c1-24-8-13(16(23-24)18(19,20)21)12-7-22-25-4-3-10(5-14(12)25)15-6-11(9-28-15)17(26)27-2/h3-9H,1-2H3
InChIKeyYHQPWQLHXYTGIX-UHFFFAOYSA-N
MW390.32 g/mol
LogP3.80
Rot. Bonds3

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

methyl 5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate (PubChem CID 154690897) has the molecular formula C18H13F3N4O3 and a molecular weight of 390.32 g/mol. Its IUPAC name is methyl 5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate
PubChem CID154690897
Molecular FormulaC18H13F3N4O3
Molecular Weight390.32 g/mol
Exact Mass390.09
IUPAC Namemethyl 5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate
SMILESCOC(=O)c1coc(-c2ccn3ncc(-c4cn(C)nc4C(F)(F)F)c3c2)c1
InChIInChI=1S/C18H13F3N4O3/c1-24-8-13(16(23-24)18(19,20)21)12-7-22-25-4-3-10(5-14(12)25)15-6-11(9-28-15)17(26)27-2/h3-9H,1-2H3
InChIKeyYHQPWQLHXYTGIX-UHFFFAOYSA-N
XLogP3.80
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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
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
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-fluoroethyl)pyrazolo[4,3-c]pyridine-6-carboxylate
CID 153568884
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
5-[3-[1-Methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid
CID 154690756

Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate?
The IUPAC name of methyl 5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate (CID 154690897) is methyl 5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate.
What is the SMILES notation for methyl 5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate?
The canonical SMILES for methyl 5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate is COC(=O)c1coc(-c2ccn3ncc(-c4cn(C)nc4C(F)(F)F)c3c2)c1.
What is the InChIKey of methyl 5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate?
The InChIKey is YHQPWQLHXYTGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O3/c1-24-8-13(16(23-24)18(19,20)21)12-7-22-25-4-3-10(5-14(12)25)15-6-11(9-28-15)17(26)27-2/h3-9H,1-2H3.
What are the key properties of methyl 5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate?
methyl 5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate has a molecular weight of 390.32 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate is sourced from PubChem (CID 154690897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).