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

C33H25F6N4NaO5 — CID 167687257

IUPACsodium;methyl 4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;hydroxide
SMILESCOC(=O)c1cnn2cccc(Cc3ccc(C(F)(F)F)cc3)c12.O=C(O)c1cnn2cccc(Cc3ccc(C(F)(F)F)cc3)c12.[Na+].[OH-]
InChIInChI=1S/C17H13F3N2O2.C16H11F3N2O2.Na.H2O/c1-24-16(23)14-10-21-22-8-2-3-12(15(14)22)9-11-4-6-13(7-5-11)17(18,19)20;17-16(18,19)12-5-3-10(4-6-12)8-11-2-1-7-21-14(11)13(9-20-21)15(22)23;;/h2-8,10H,9H2,1H3;1-7,9H,8H2,(H,22,23);;1H2/q;;+1;/p-1
InChIKeyWJXKKMAYSKZJQL-UHFFFAOYSA-M
MW694.56 g/mol
LogP4.20
Rot. Bonds6

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

sodium;methyl 4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;hydroxide (PubChem CID 167687257) has the molecular formula C33H25F6N4NaO5 and a molecular weight of 694.56 g/mol. Its IUPAC name is sodium;methyl 4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;hydroxide.

Molecular Properties

Compound Namesodium;methyl 4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;hydroxide
PubChem CID167687257
Molecular FormulaC33H25F6N4NaO5
Molecular Weight694.56 g/mol
Exact Mass694.16
IUPAC Namesodium;methyl 4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;hydroxide
SMILESCOC(=O)c1cnn2cccc(Cc3ccc(C(F)(F)F)cc3)c12.O=C(O)c1cnn2cccc(Cc3ccc(C(F)(F)F)cc3)c12.[Na+].[OH-]
InChIInChI=1S/C17H13F3N2O2.C16H11F3N2O2.Na.H2O/c1-24-16(23)14-10-21-22-8-2-3-12(15(14)22)9-11-4-6-13(7-5-11)17(18,19)20;17-16(18,19)12-5-3-10(4-6-12)8-11-2-1-7-21-14(11)13(9-20-21)15(22)23;;/h2-8,10H,9H2,1H3;1-7,9H,8H2,(H,22,23);;1H2/q;;+1;/p-1
InChIKeyWJXKKMAYSKZJQL-UHFFFAOYSA-M
XLogP4.20
TPSA128.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500694.56
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze sodium;methyl 4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;hydroxide 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
CID 146001223
CID 146001223
5-(Methoxycarbonyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 123725403
Ethyl 4-[1-(pyridin-4-ylmethyl)indazol-3-yl]benzoate
CID 44451896
Ethyl 4-[1-(pyridin-3-ylmethyl)indazol-3-yl]benzoate
CID 44451899
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
4-[1-[4-[4-Ethoxycarbonyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]triazol-4-yl]benzoic acid
CID 132211971
3-[1-[4-[4-(Pyridin-4-ylmethoxycarbonyl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]triazol-4-yl]benzoic acid
CID 132224383

Frequently Asked Questions

What is the IUPAC name of sodium;methyl 4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;hydroxide?
The IUPAC name of sodium;methyl 4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;hydroxide (CID 167687257) is sodium;methyl 4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;hydroxide.
What is the SMILES notation for sodium;methyl 4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;hydroxide?
The canonical SMILES for sodium;methyl 4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;hydroxide is COC(=O)c1cnn2cccc(Cc3ccc(C(F)(F)F)cc3)c12.O=C(O)c1cnn2cccc(Cc3ccc(C(F)(F)F)cc3)c12.[Na+].[OH-].
What is the InChIKey of sodium;methyl 4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;hydroxide?
The InChIKey is WJXKKMAYSKZJQL-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H13F3N2O2.C16H11F3N2O2.Na.H2O/c1-24-16(23)14-10-21-22-8-2-3-12(15(14)22)9-11-4-6-13(7-5-11)17(18,19)20;17-16(18,19)12-5-3-10(4-6-12)8-11-2-1-7-21-14(11)13(9-20-21)15(22)23;;/h2-8,10H,9H2,1H3;1-7,9H,8H2,(H,22,23);;1H2/q;;+1;/p-1.
What are the key properties of sodium;methyl 4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;hydroxide?
sodium;methyl 4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;hydroxide has a molecular weight of 694.56 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;methyl 4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;hydroxide is sourced from PubChem (CID 167687257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).