methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate

C21H16FN3O2 — CID 139495135

IUPACmethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1cnn2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cc12
InChIInChI=1S/C21H16FN3O2/c1-13-10-15(5-6-18(13)22)20-16(4-3-8-23-20)14-7-9-25-19(11-14)17(12-24-25)21(26)27-2/h3-12H,1-2H3
InChIKeyGWHSPRHUJFFOHA-UHFFFAOYSA-N
MW361.38 g/mol
LogP4.30
Rot. Bonds3

About methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate

methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 139495135) has the molecular formula C21H16FN3O2 and a molecular weight of 361.38 g/mol. Its IUPAC name is methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID139495135
Molecular FormulaC21H16FN3O2
Molecular Weight361.38 g/mol
Exact Mass361.12
IUPAC Namemethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1cnn2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cc12
InChIInChI=1S/C21H16FN3O2/c1-13-10-15(5-6-18(13)22)20-16(4-3-8-23-20)14-7-9-25-19(11-14)17(12-24-25)21(26)27-2/h3-12H,1-2H3
InChIKeyGWHSPRHUJFFOHA-UHFFFAOYSA-N
XLogP4.30
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 139495135) is methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate is COC(=O)c1cnn2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cc12.
What is the InChIKey of methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is GWHSPRHUJFFOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2/c1-13-10-15(5-6-18(13)22)20-16(4-3-8-23-20)14-7-9-25-19(11-14)17(12-24-25)21(26)27-2/h3-12H,1-2H3.
What are the key properties of methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate?
methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 361.38 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 139495135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).