(E)-3-(dimethylamino)-1-[7-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-en-1-one

C14H14F3N3O — CID 59176932

IUPAC(E)-3-(dimethylamino)-1-[7-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-en-1-one
SMILESCc1ccn2c(C(=O)/C=C/N(C)C)c(C(F)(F)F)nc2c1
InChIInChI=1S/C14H14F3N3O/c1-9-4-7-20-11(8-9)18-13(14(15,16)17)12(20)10(21)5-6-19(2)3/h4-8H,1-3H3/b6-5+
InChIKeyHLSXQOXMRMXWJQ-AATRIKPKSA-N
MW297.28 g/mol
LogP2.92
Rot. Bonds3

About (E)-3-(dimethylamino)-1-[7-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-en-1-one

(E)-3-(dimethylamino)-1-[7-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-en-1-one (PubChem CID 59176932) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is (E)-3-(dimethylamino)-1-[7-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(dimethylamino)-1-[7-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-en-1-one
PubChem CID59176932
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name(E)-3-(dimethylamino)-1-[7-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-en-1-one
SMILESCc1ccn2c(C(=O)/C=C/N(C)C)c(C(F)(F)F)nc2c1
InChIInChI=1S/C14H14F3N3O/c1-9-4-7-20-11(8-9)18-13(14(15,16)17)12(20)10(21)5-6-19(2)3/h4-8H,1-3H3/b6-5+
InChIKeyHLSXQOXMRMXWJQ-AATRIKPKSA-N
XLogP2.92
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.92
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 (E)-3-(dimethylamino)-1-[7-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-en-1-one?
The IUPAC name of (E)-3-(dimethylamino)-1-[7-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-en-1-one (CID 59176932) is (E)-3-(dimethylamino)-1-[7-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-(dimethylamino)-1-[7-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-en-1-one?
The canonical SMILES for (E)-3-(dimethylamino)-1-[7-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-en-1-one is Cc1ccn2c(C(=O)/C=C/N(C)C)c(C(F)(F)F)nc2c1.
What is the InChIKey of (E)-3-(dimethylamino)-1-[7-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-en-1-one?
The InChIKey is HLSXQOXMRMXWJQ-AATRIKPKSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-9-4-7-20-11(8-9)18-13(14(15,16)17)12(20)10(21)5-6-19(2)3/h4-8H,1-3H3/b6-5+.
What are the key properties of (E)-3-(dimethylamino)-1-[7-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-en-1-one?
(E)-3-(dimethylamino)-1-[7-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-en-1-one has a molecular weight of 297.28 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(dimethylamino)-1-[7-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-en-1-one is sourced from PubChem (CID 59176932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).