ethyl (E)-3-[1-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]prop-2-enoate

C19H15F3N2O2 — CID 172515091

IUPACethyl (E)-3-[1-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1nc(-c2ccc(C(F)(F)F)cc2)c2ccccn12
InChIInChI=1S/C19H15F3N2O2/c1-2-26-17(25)11-10-16-23-18(15-5-3-4-12-24(15)16)13-6-8-14(9-7-13)19(20,21)22/h3-12H,2H2,1H3/b11-10+
InChIKeyKOLQXTXFAJTCTQ-ZHACJKMWSA-N
MW360.34 g/mol
LogP4.60
Rot. Bonds4

About ethyl (E)-3-[1-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]prop-2-enoate

ethyl (E)-3-[1-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]prop-2-enoate (PubChem CID 172515091) has the molecular formula C19H15F3N2O2 and a molecular weight of 360.34 g/mol. Its IUPAC name is ethyl (E)-3-[1-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[1-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]prop-2-enoate
PubChem CID172515091
Molecular FormulaC19H15F3N2O2
Molecular Weight360.34 g/mol
Exact Mass360.11
IUPAC Nameethyl (E)-3-[1-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1nc(-c2ccc(C(F)(F)F)cc2)c2ccccn12
InChIInChI=1S/C19H15F3N2O2/c1-2-26-17(25)11-10-16-23-18(15-5-3-4-12-24(15)16)13-6-8-14(9-7-13)19(20,21)22/h3-12H,2H2,1H3/b11-10+
InChIKeyKOLQXTXFAJTCTQ-ZHACJKMWSA-N
XLogP4.60
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[1-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]ethyl]carbamate
CID 11742008
3-bromo-1-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine
CID 172515069
ethyl 4-oxo-4-[4-(trifluoromethyl)phenyl]but-2-enoate
CID 169091906
ethyl 3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate
CID 169481294
ethane;ethyl (E)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 91168931
ethyl (E)-3-pyrazolo[1,5-a]pyridin-3-ylprop-2-enoate
CID 165477367
ethyl 3-[4,5-diphenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]prop-2-enoate
CID 54334591
ethyl (E)-3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-enoate
CID 10825341
ethyl (2E,4E)-5-phenyl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoate
CID 57386566
1-(4-methylphenyl)-3-[1-(4-methylphenyl)imidazo[1,5-a]pyridin-3-yl]imidazo[1,5-a]pyridine
CID 132965985
diethyl 2-[[3-(4-tert-butylphenyl)imidazo[1,5-a]pyridin-1-yl]methylidene]propanedioate
CID 5119966
ethyl (Z)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]prop-2-enoate
CID 59334511

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[1-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[1-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]prop-2-enoate (CID 172515091) is ethyl (E)-3-[1-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[1-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[1-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]prop-2-enoate is CCOC(=O)/C=C/c1nc(-c2ccc(C(F)(F)F)cc2)c2ccccn12.
What is the InChIKey of ethyl (E)-3-[1-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]prop-2-enoate?
The InChIKey is KOLQXTXFAJTCTQ-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H15F3N2O2/c1-2-26-17(25)11-10-16-23-18(15-5-3-4-12-24(15)16)13-6-8-14(9-7-13)19(20,21)22/h3-12H,2H2,1H3/b11-10+.
What are the key properties of ethyl (E)-3-[1-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]prop-2-enoate?
ethyl (E)-3-[1-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]prop-2-enoate has a molecular weight of 360.34 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[1-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]prop-2-enoate is sourced from PubChem (CID 172515091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).