(E)-1-[5-(4-cyclobutylpiperazin-1-yl)-2-methyl-2H-pyridin-1-yl]-3-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)but-2-en-1-one;ethane

C30H43N5O — CID 144885288

IUPAC(E)-1-[5-(4-cyclobutylpiperazin-1-yl)-2-methyl-2H-pyridin-1-yl]-3-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)but-2-en-1-one;ethane
SMILESCC.CCc1cc(/C(C)=C/C(=O)N2C=C(N3CCN(C4CCC4)CC3)C=CC2C)cn2cc(C)nc12
InChIInChI=1S/C28H37N5O.C2H6/c1-5-23-16-24(18-32-17-21(3)29-28(23)32)20(2)15-27(34)33-19-26(10-9-22(33)4)31-13-11-30(12-14-31)25-7-6-8-25;1-2/h9-10,15-19,22,25H,5-8,11-14H2,1-4H3;1-2H3/b20-15+;
InChIKeyBLFCQJZKZCHRPC-QMGGKDRNSA-N
MW489.71 g/mol
LogP5.43
Rot. Bonds5

About (E)-1-[5-(4-cyclobutylpiperazin-1-yl)-2-methyl-2H-pyridin-1-yl]-3-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)but-2-en-1-one;ethane

(E)-1-[5-(4-cyclobutylpiperazin-1-yl)-2-methyl-2H-pyridin-1-yl]-3-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)but-2-en-1-one;ethane (PubChem CID 144885288) has the molecular formula C30H43N5O and a molecular weight of 489.71 g/mol. Its IUPAC name is (E)-1-[5-(4-cyclobutylpiperazin-1-yl)-2-methyl-2H-pyridin-1-yl]-3-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)but-2-en-1-one;ethane.

Molecular Properties

Compound Name(E)-1-[5-(4-cyclobutylpiperazin-1-yl)-2-methyl-2H-pyridin-1-yl]-3-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)but-2-en-1-one;ethane
PubChem CID144885288
Molecular FormulaC30H43N5O
Molecular Weight489.71 g/mol
Exact Mass489.35
IUPAC Name(E)-1-[5-(4-cyclobutylpiperazin-1-yl)-2-methyl-2H-pyridin-1-yl]-3-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)but-2-en-1-one;ethane
SMILESCC.CCc1cc(/C(C)=C/C(=O)N2C=C(N3CCN(C4CCC4)CC3)C=CC2C)cn2cc(C)nc12
InChIInChI=1S/C28H37N5O.C2H6/c1-5-23-16-24(18-32-17-21(3)29-28(23)32)20(2)15-27(34)33-19-26(10-9-22(33)4)31-13-11-30(12-14-31)25-7-6-8-25;1-2/h9-10,15-19,22,25H,5-8,11-14H2,1-4H3;1-2H3/b20-15+;
InChIKeyBLFCQJZKZCHRPC-QMGGKDRNSA-N
XLogP5.43
TPSA44.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.71
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-1-[5-(4-cyclobutylpiperazin-1-yl)-2-methyl-2H-pyridin-1-yl]-3-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)but-2-en-1-one;ethane with MolForge

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Related Compounds

(E)-1-[5-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-methylidene-1-pyridinyl]-3-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)but-2-en-1-one
CID 142362033
(E)-1-[5-[(3S)-3,4-dimethylpiperazin-1-yl]-2-methyl-2H-pyridin-1-yl]-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)but-2-en-1-one
CID 145200093
7-(1,4-diazabicyclo[4.2.0]octan-4-yl)-2-(8-hydroxy-2-methylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
CID 144885230
ethane;(E)-1-[2-methyl-5-(2-methylimidazo[1,2-a]pyridin-6-yl)-2H-pyridin-1-yl]-3-(1-methylpiperidin-4-yl)but-2-en-1-one
CID 145200144
3-(4-cyclopropylpiperazin-1-yl)-8-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-9-methyl-9,10-dihydro-6H-pyrido[1,2-a]azocin-6-ol
CID 123798658
2,8-dimethylimidazo[1,2-a]pyridine-6-carboxylic acid
CID 83967374
7-(4-ethylpiperazin-1-yl)-2-(2-methyl-8-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
CID 144885385
(4Z)-N-[2-[2-(4-cyclobutylpiperazin-1-yl)-5-ethylpyrimidin-4-yl]ethyl]-4-methylhexa-1,4-dien-2-amine
CID 143595567
7-(4-cyclobutyl-3-methylidenepiperazin-1-yl)-2-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one
CID 162080152
6-(4-cyclopentylpiperazin-1-yl)-2-ethylpyrimidin-4-amine
CID 80934683
(4-cyclobutyl-1,4-diazepan-1-yl)-(4-ethylphenyl)methanone
CID 131702217
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]ethanone
CID 10149338

Frequently Asked Questions

What is the IUPAC name of (E)-1-[5-(4-cyclobutylpiperazin-1-yl)-2-methyl-2H-pyridin-1-yl]-3-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)but-2-en-1-one;ethane?
The IUPAC name of (E)-1-[5-(4-cyclobutylpiperazin-1-yl)-2-methyl-2H-pyridin-1-yl]-3-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)but-2-en-1-one;ethane (CID 144885288) is (E)-1-[5-(4-cyclobutylpiperazin-1-yl)-2-methyl-2H-pyridin-1-yl]-3-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)but-2-en-1-one;ethane.
What is the SMILES notation for (E)-1-[5-(4-cyclobutylpiperazin-1-yl)-2-methyl-2H-pyridin-1-yl]-3-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)but-2-en-1-one;ethane?
The canonical SMILES for (E)-1-[5-(4-cyclobutylpiperazin-1-yl)-2-methyl-2H-pyridin-1-yl]-3-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)but-2-en-1-one;ethane is CC.CCc1cc(/C(C)=C/C(=O)N2C=C(N3CCN(C4CCC4)CC3)C=CC2C)cn2cc(C)nc12.
What is the InChIKey of (E)-1-[5-(4-cyclobutylpiperazin-1-yl)-2-methyl-2H-pyridin-1-yl]-3-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)but-2-en-1-one;ethane?
The InChIKey is BLFCQJZKZCHRPC-QMGGKDRNSA-N. The full InChI is InChI=1S/C28H37N5O.C2H6/c1-5-23-16-24(18-32-17-21(3)29-28(23)32)20(2)15-27(34)33-19-26(10-9-22(33)4)31-13-11-30(12-14-31)25-7-6-8-25;1-2/h9-10,15-19,22,25H,5-8,11-14H2,1-4H3;1-2H3/b20-15+;.
What are the key properties of (E)-1-[5-(4-cyclobutylpiperazin-1-yl)-2-methyl-2H-pyridin-1-yl]-3-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)but-2-en-1-one;ethane?
(E)-1-[5-(4-cyclobutylpiperazin-1-yl)-2-methyl-2H-pyridin-1-yl]-3-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)but-2-en-1-one;ethane has a molecular weight of 489.71 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[5-(4-cyclobutylpiperazin-1-yl)-2-methyl-2H-pyridin-1-yl]-3-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)but-2-en-1-one;ethane is sourced from PubChem (CID 144885288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).