(E)-1-(3,4-dimethoxyphenyl)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-en-1-one

C19H15F3N2O3 — CID 54599698

IUPAC(E)-1-(3,4-dimethoxyphenyl)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/c2c(C(F)(F)F)nc3ccccn23)cc1OC
InChIInChI=1S/C19H15F3N2O3/c1-26-15-9-6-12(11-16(15)27-2)14(25)8-7-13-18(19(20,21)22)23-17-5-3-4-10-24(13)17/h3-11H,1-2H3/b8-7+
InChIKeyZSKDPZULCCQUAO-BQYQJAHWSA-N
MW376.33 g/mol
LogP4.27
Rot. Bonds5

About (E)-1-(3,4-dimethoxyphenyl)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-en-1-one

(E)-1-(3,4-dimethoxyphenyl)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-en-1-one (PubChem CID 54599698) has the molecular formula C19H15F3N2O3 and a molecular weight of 376.33 g/mol. Its IUPAC name is (E)-1-(3,4-dimethoxyphenyl)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(3,4-dimethoxyphenyl)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-en-1-one
PubChem CID54599698
Molecular FormulaC19H15F3N2O3
Molecular Weight376.33 g/mol
Exact Mass376.10
IUPAC Name(E)-1-(3,4-dimethoxyphenyl)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/c2c(C(F)(F)F)nc3ccccn23)cc1OC
InChIInChI=1S/C19H15F3N2O3/c1-26-15-9-6-12(11-16(15)27-2)14(25)8-7-13-18(19(20,21)22)23-17-5-3-4-10-24(13)17/h3-11H,1-2H3/b8-7+
InChIKeyZSKDPZULCCQUAO-BQYQJAHWSA-N
XLogP4.27
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-1-(3,4-dimethoxyphenyl)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bay 61-3606
CID 10200390
1-[4-[3-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone
CID 134179255
1-[4-[6-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
CID 134179274
Aminoimidazo[1,2-a]pyridine deriv. 16
CID 5330616
Aminoimidazo[1,2-a]pyridine deriv. 20
CID 5330621
4-(Imidazo[1,2-a]pyridin-2-ylmethoxy)benzaldehyde
CID 739244
2-(2,3-Dihydrobenzo(b)(1,4)dioxin-6-yl)-6-methylimidazo(1,2-a)pyridine
CID 2813456
1-(3,4-dimethoxyphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone
CID 3999131
Methyl 2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate
CID 4318279
2-(1-methyl-1H-1,3-benzodiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethan-1-one
CID 4962804
8-methoxy-3-(8-methylimidazo[1,2-a]pyridin-2-yl)-2H-chromen-2-one
CID 767317
3,4,5-trimethoxy-N-(3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl)benzamide
CID 983446

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3,4-dimethoxyphenyl)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-en-1-one?
The IUPAC name of (E)-1-(3,4-dimethoxyphenyl)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-en-1-one (CID 54599698) is (E)-1-(3,4-dimethoxyphenyl)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-1-(3,4-dimethoxyphenyl)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-en-1-one?
The canonical SMILES for (E)-1-(3,4-dimethoxyphenyl)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-en-1-one is COc1ccc(C(=O)/C=C/c2c(C(F)(F)F)nc3ccccn23)cc1OC.
What is the InChIKey of (E)-1-(3,4-dimethoxyphenyl)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-en-1-one?
The InChIKey is ZSKDPZULCCQUAO-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H15F3N2O3/c1-26-15-9-6-12(11-16(15)27-2)14(25)8-7-13-18(19(20,21)22)23-17-5-3-4-10-24(13)17/h3-11H,1-2H3/b8-7+.
What are the key properties of (E)-1-(3,4-dimethoxyphenyl)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-en-1-one?
(E)-1-(3,4-dimethoxyphenyl)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-en-1-one has a molecular weight of 376.33 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3,4-dimethoxyphenyl)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-en-1-one is sourced from PubChem (CID 54599698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).