(E)-3-(4-methoxyphenyl)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-en-1-one

C18H16N2O2 — CID 6050117

IUPAC(E)-3-(4-methoxyphenyl)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)c2c(C)nc3ccccn23)cc1
InChIInChI=1S/C18H16N2O2/c1-13-18(20-12-4-3-5-17(20)19-13)16(21)11-8-14-6-9-15(22-2)10-7-14/h3-12H,1-2H3/b11-8+
InChIKeyBDUPTEXAYHRIKB-DHZHZOJOSA-N
MW292.34 g/mol
LogP3.55
Rot. Bonds4

About (E)-3-(4-methoxyphenyl)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-en-1-one

(E)-3-(4-methoxyphenyl)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-en-1-one (PubChem CID 6050117) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-en-1-one
PubChem CID6050117
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name(E)-3-(4-methoxyphenyl)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)c2c(C)nc3ccccn23)cc1
InChIInChI=1S/C18H16N2O2/c1-13-18(20-12-4-3-5-17(20)19-13)16(21)11-8-14-6-9-15(22-2)10-7-14/h3-12H,1-2H3/b11-8+
InChIKeyBDUPTEXAYHRIKB-DHZHZOJOSA-N
XLogP3.55
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.55
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

Divaplon
CID 65822
N-[2-(4-methoxyphenyl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 675270
2-(4-Methoxyphenyl)imidazo[1,2-a]pyridine
CID 694963
2-(4-Ethoxyphenyl)imidazo[1,2-a]pyridine
CID 720519
2-(4-Propoxyphenyl)imidazo[1,2-a]pyridine
CID 2876085
7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, compd. with N1-((4-methoxyphenyl)methyl)-N2,N2-dimethyl-N1-2-pyridinyl-1,2-ethanediamine (1:1)
CID 162821
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
Propan-2-yl 4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzoate
CID 134179845
3-(8-Methyl-2-imidazo[1,2-a]pyridinyl)-1-benzopyran-2-one
CID 767302
2-(4-Methoxyphenyl)-7-methylimidazo[1,2-a]pyridine
CID 828003
3-(7-Methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one
CID 830970

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(4-methoxyphenyl)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-en-1-one (CID 6050117) is (E)-3-(4-methoxyphenyl)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-en-1-one is COc1ccc(/C=C/C(=O)c2c(C)nc3ccccn23)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-en-1-one?
The InChIKey is BDUPTEXAYHRIKB-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-13-18(20-12-4-3-5-17(20)19-13)16(21)11-8-14-6-9-15(22-2)10-7-14/h3-12H,1-2H3/b11-8+.
What are the key properties of (E)-3-(4-methoxyphenyl)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-en-1-one?
(E)-3-(4-methoxyphenyl)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-en-1-one has a molecular weight of 292.34 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-en-1-one is sourced from PubChem (CID 6050117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).