methyl 6-[6-methoxy-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate

C23H16F3N3O4 — CID 86704724

IUPACmethyl 6-[6-methoxy-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)c2c(-c3ccccc3C(F)(F)F)nn3cc(OC)ccc23)n1
InChIInChI=1S/C23H16F3N3O4/c1-32-13-10-11-18-19(21(30)16-8-5-9-17(27-16)22(31)33-2)20(28-29(18)12-13)14-6-3-4-7-15(14)23(24,25)26/h3-12H,1-2H3
InChIKeyZKAMPTYZAAMHQP-UHFFFAOYSA-N
MW455.39 g/mol
LogP4.44
Rot. Bonds5

About methyl 6-[6-methoxy-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate

methyl 6-[6-methoxy-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate (PubChem CID 86704724) has the molecular formula C23H16F3N3O4 and a molecular weight of 455.39 g/mol. Its IUPAC name is methyl 6-[6-methoxy-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[6-methoxy-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate
PubChem CID86704724
Molecular FormulaC23H16F3N3O4
Molecular Weight455.39 g/mol
Exact Mass455.11
IUPAC Namemethyl 6-[6-methoxy-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)c2c(-c3ccccc3C(F)(F)F)nn3cc(OC)ccc23)n1
InChIInChI=1S/C23H16F3N3O4/c1-32-13-10-11-18-19(21(30)16-8-5-9-17(27-16)22(31)33-2)20(28-29(18)12-13)14-6-3-4-7-15(14)23(24,25)26/h3-12H,1-2H3
InChIKeyZKAMPTYZAAMHQP-UHFFFAOYSA-N
XLogP4.44
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.39
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 6-[6-methoxy-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate with MolForge

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Related Compounds

methyl 6-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate
CID 158566765
methyl 6-(6-cyclopropyl-2-phenylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate
CID 86704746
methyl 6-(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate
CID 123486112
6-[[6-chloro-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 123165587
methyl 6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
CID 159676255
methyl 6-[(6-fluoro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate
CID 86704739
methyl 6-[2-fluoro-3-methoxy-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 150262040
dimethyl 3-[2-fluoro-3-(trifluoromethyl)phenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169387527
methyl 2-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82567017
methyl 6-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-2-carboxylate
CID 170364130
methyl 6-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyridine-2-carboxylate
CID 58774798
methyl 6-[(6-amino-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate
CID 86704899

Frequently Asked Questions

What is the IUPAC name of methyl 6-[6-methoxy-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[6-methoxy-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate (CID 86704724) is methyl 6-[6-methoxy-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[6-methoxy-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[6-methoxy-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate is COC(=O)c1cccc(C(=O)c2c(-c3ccccc3C(F)(F)F)nn3cc(OC)ccc23)n1.
What is the InChIKey of methyl 6-[6-methoxy-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate?
The InChIKey is ZKAMPTYZAAMHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O4/c1-32-13-10-11-18-19(21(30)16-8-5-9-17(27-16)22(31)33-2)20(28-29(18)12-13)14-6-3-4-7-15(14)23(24,25)26/h3-12H,1-2H3.
What are the key properties of methyl 6-[6-methoxy-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate?
methyl 6-[6-methoxy-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate has a molecular weight of 455.39 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[6-methoxy-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate is sourced from PubChem (CID 86704724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).