methyl 4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate;4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid

C33H24F6N4O4 — CID 167618156

IUPACmethyl 4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate;4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCOC(=O)c1cnn2cccc(Cc3cccc(C(F)(F)F)c3)c12.O=C(O)c1cnn2cccc(Cc3cccc(C(F)(F)F)c3)c12
InChIInChI=1S/C17H13F3N2O2.C16H11F3N2O2/c1-24-16(23)14-10-21-22-7-3-5-12(15(14)22)8-11-4-2-6-13(9-11)17(18,19)20;17-16(18,19)12-5-1-3-10(8-12)7-11-4-2-6-21-14(11)13(9-20-21)15(22)23/h2-7,9-10H,8H2,1H3;1-6,8-9H,7H2,(H,22,23)
InChIKeyMAYHOHYYQJGNAX-UHFFFAOYSA-N
MW654.57 g/mol
LogP7.37
Rot. Bonds6

About methyl 4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate;4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid

methyl 4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate;4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 167618156) has the molecular formula C33H24F6N4O4 and a molecular weight of 654.57 g/mol. Its IUPAC name is methyl 4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate;4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Namemethyl 4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate;4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
PubChem CID167618156
Molecular FormulaC33H24F6N4O4
Molecular Weight654.57 g/mol
Exact Mass654.17
IUPAC Namemethyl 4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate;4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCOC(=O)c1cnn2cccc(Cc3cccc(C(F)(F)F)c3)c12.O=C(O)c1cnn2cccc(Cc3cccc(C(F)(F)F)c3)c12
InChIInChI=1S/C17H13F3N2O2.C16H11F3N2O2/c1-24-16(23)14-10-21-22-7-3-5-12(15(14)22)8-11-4-2-6-13(9-11)17(18,19)20;17-16(18,19)12-5-1-3-10(8-12)7-11-4-2-6-21-14(11)13(9-20-21)15(22)23/h2-7,9-10H,8H2,1H3;1-6,8-9H,7H2,(H,22,23)
InChIKeyMAYHOHYYQJGNAX-UHFFFAOYSA-N
XLogP7.37
TPSA98.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.57
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate;4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid with MolForge

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Related Compounds

6-[[2-Phenyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 60151152
6-[(6-Methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151153
6-[[2-Phenyl-6-(propen-2-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 86704838
3-[1-[4-[4-Ethoxycarbonyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]triazol-4-yl]benzoic acid
CID 132211892
CID 146001223
CID 146001223
2-Phenylpyrazolo(1,5-a)pyridine-3-carboxylic acid
CID 12872295
5-(Methoxycarbonyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 123725403
Cyclohexyl 2-pyridin-4-ylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 137634765
Cyclohexyl 2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 137642480
Butyl 2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 137658202
CID 145999743
CID 145999743
Ethyl 2-(4-fluorophenyl)pyrazolo[1,5-A]pyridine-3-carboxylate
CID 71284143

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate;4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of methyl 4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate;4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid (CID 167618156) is methyl 4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate;4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for methyl 4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate;4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for methyl 4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate;4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid is COC(=O)c1cnn2cccc(Cc3cccc(C(F)(F)F)c3)c12.O=C(O)c1cnn2cccc(Cc3cccc(C(F)(F)F)c3)c12.
What is the InChIKey of methyl 4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate;4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is MAYHOHYYQJGNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2.C16H11F3N2O2/c1-24-16(23)14-10-21-22-7-3-5-12(15(14)22)8-11-4-2-6-13(9-11)17(18,19)20;17-16(18,19)12-5-1-3-10(8-12)7-11-4-2-6-21-14(11)13(9-20-21)15(22)23/h2-7,9-10H,8H2,1H3;1-6,8-9H,7H2,(H,22,23).
What are the key properties of methyl 4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate;4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
methyl 4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate;4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 654.57 g/mol, XLogP of 7.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate;4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 167618156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).