methyl 6-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate

C23H16F3N3O3 — CID 158566765

IUPACmethyl 6-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)c2c(-c3ccc(C(F)(F)F)cc3)nn3cc(C)ccc23)n1
InChIInChI=1S/C23H16F3N3O3/c1-13-6-11-18-19(21(30)16-4-3-5-17(27-16)22(31)32-2)20(28-29(18)12-13)14-7-9-15(10-8-14)23(24,25)26/h3-12H,1-2H3
InChIKeyHROQSVLGHWVWTB-UHFFFAOYSA-N
MW439.39 g/mol
LogP4.74
Rot. Bonds4

About methyl 6-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate

methyl 6-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate (PubChem CID 158566765) has the molecular formula C23H16F3N3O3 and a molecular weight of 439.39 g/mol. Its IUPAC name is methyl 6-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate
PubChem CID158566765
Molecular FormulaC23H16F3N3O3
Molecular Weight439.39 g/mol
Exact Mass439.11
IUPAC Namemethyl 6-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)c2c(-c3ccc(C(F)(F)F)cc3)nn3cc(C)ccc23)n1
InChIInChI=1S/C23H16F3N3O3/c1-13-6-11-18-19(21(30)16-4-3-5-17(27-16)22(31)32-2)20(28-29(18)12-13)14-7-9-15(10-8-14)23(24,25)26/h3-12H,1-2H3
InChIKeyHROQSVLGHWVWTB-UHFFFAOYSA-N
XLogP4.74
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.39
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 6-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate with MolForge

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Related Compounds

methyl 6-[6-methoxy-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate
CID 86704724
methyl 6-(6-cyclopropyl-2-phenylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate
CID 86704746
methyl 6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
CID 159676255
methyl 6-(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate
CID 123486112
methyl 4-methyl-6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate
CID 147046443
methyl 6-[(6-fluoro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate
CID 86704739
methyl 6-[[6-chloro-2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
CID 123259065
1-[2-(3-bromophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)-2-fluoroprop-2-en-1-one
CID 68644142
1-[2-(3-bromophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-2-fluoroprop-2-en-1-one
CID 89186883
(E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one
CID 11501715
methyl 4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 117222258
methyl 6-(3-fluorophenyl)-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxylate
CID 170701250

Frequently Asked Questions

What is the IUPAC name of methyl 6-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate (CID 158566765) is methyl 6-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate is COC(=O)c1cccc(C(=O)c2c(-c3ccc(C(F)(F)F)cc3)nn3cc(C)ccc23)n1.
What is the InChIKey of methyl 6-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate?
The InChIKey is HROQSVLGHWVWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O3/c1-13-6-11-18-19(21(30)16-4-3-5-17(27-16)22(31)32-2)20(28-29(18)12-13)14-7-9-15(10-8-14)23(24,25)26/h3-12H,1-2H3.
What are the key properties of methyl 6-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate?
methyl 6-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate has a molecular weight of 439.39 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate is sourced from PubChem (CID 158566765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).