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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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).