methyl 3-[6-(4-methylphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]propanoate

C19H17F3N2O2 — CID 58118955

IUPACmethyl 3-[6-(4-methylphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]propanoate
SMILESCOC(=O)CCc1nc(C(F)(F)F)n2cc(-c3ccc(C)cc3)ccc12
InChIInChI=1S/C19H17F3N2O2/c1-12-3-5-13(6-4-12)14-7-9-16-15(8-10-17(25)26-2)23-18(19(20,21)22)24(16)11-14/h3-7,9,11H,8,10H2,1-2H3
InChIKeyGNNDXTVPCJXQHF-UHFFFAOYSA-N
MW362.35 g/mol
LogP4.43
Rot. Bonds4

About methyl 3-[6-(4-methylphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]propanoate

methyl 3-[6-(4-methylphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]propanoate (PubChem CID 58118955) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is methyl 3-[6-(4-methylphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[6-(4-methylphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]propanoate
PubChem CID58118955
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Namemethyl 3-[6-(4-methylphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]propanoate
SMILESCOC(=O)CCc1nc(C(F)(F)F)n2cc(-c3ccc(C)cc3)ccc12
InChIInChI=1S/C19H17F3N2O2/c1-12-3-5-13(6-4-12)14-7-9-16-15(8-10-17(25)26-2)23-18(19(20,21)22)24(16)11-14/h3-7,9,11H,8,10H2,1-2H3
InChIKeyGNNDXTVPCJXQHF-UHFFFAOYSA-N
XLogP4.43
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[6-(4-methylphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]propanoate?
The IUPAC name of methyl 3-[6-(4-methylphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]propanoate (CID 58118955) is methyl 3-[6-(4-methylphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[6-(4-methylphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]propanoate?
The canonical SMILES for methyl 3-[6-(4-methylphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]propanoate is COC(=O)CCc1nc(C(F)(F)F)n2cc(-c3ccc(C)cc3)ccc12.
What is the InChIKey of methyl 3-[6-(4-methylphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]propanoate?
The InChIKey is GNNDXTVPCJXQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c1-12-3-5-13(6-4-12)14-7-9-16-15(8-10-17(25)26-2)23-18(19(20,21)22)24(16)11-14/h3-7,9,11H,8,10H2,1-2H3.
What are the key properties of methyl 3-[6-(4-methylphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]propanoate?
methyl 3-[6-(4-methylphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]propanoate has a molecular weight of 362.35 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[6-(4-methylphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]propanoate is sourced from PubChem (CID 58118955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).