methyl 8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylate

C17H13F3N2O2 — CID 155391478

IUPACmethyl 8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1ncn2cccc(Cc3ccc(C(F)(F)F)cc3)c12
InChIInChI=1S/C17H13F3N2O2/c1-24-16(23)14-15-12(3-2-8-22(15)10-21-14)9-11-4-6-13(7-5-11)17(18,19)20/h2-8,10H,9H2,1H3
InChIKeyMRHAKRQIADNSSK-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.73
Rot. Bonds3

About methyl 8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylate

methyl 8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 155391478) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is methyl 8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylate
PubChem CID155391478
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Namemethyl 8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1ncn2cccc(Cc3ccc(C(F)(F)F)cc3)c12
InChIInChI=1S/C17H13F3N2O2/c1-24-16(23)14-15-12(3-2-8-22(15)10-21-14)9-11-4-6-13(7-5-11)17(18,19)20/h2-8,10H,9H2,1H3
InChIKeyMRHAKRQIADNSSK-UHFFFAOYSA-N
XLogP3.73
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of methyl 8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylate (CID 155391478) is methyl 8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for methyl 8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for methyl 8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylate is COC(=O)c1ncn2cccc(Cc3ccc(C(F)(F)F)cc3)c12.
What is the InChIKey of methyl 8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is MRHAKRQIADNSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c1-24-16(23)14-15-12(3-2-8-22(15)10-21-14)9-11-4-6-13(7-5-11)17(18,19)20/h2-8,10H,9H2,1H3.
What are the key properties of methyl 8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylate?
methyl 8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 334.30 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 155391478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).