8-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-3-(1-ethylpiperidin-4-yl)-9-methyl-9,10-dihydropyrido[1,2-a]azocin-6-one

C28H34N4O — CID 123964660

IUPAC8-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-3-(1-ethylpiperidin-4-yl)-9-methyl-9,10-dihydropyrido[1,2-a]azocin-6-one
SMILESCCN1CCC(C2=CN3C(=O)C=C(c4cc(C)c5nc(C)cn5c4)C(C)CC=C3C=C2)CC1
InChIInChI=1S/C28H34N4O/c1-5-30-12-10-22(11-13-30)23-7-9-25-8-6-19(2)26(15-27(33)32(25)18-23)24-14-20(3)28-29-21(4)16-31(28)17-24/h7-9,14-19,22H,5-6,10-13H2,1-4H3
InChIKeyHEUNGQRDVDZLSF-UHFFFAOYSA-N
MW442.61 g/mol
LogP5.27
Rot. Bonds3

About 8-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-3-(1-ethylpiperidin-4-yl)-9-methyl-9,10-dihydropyrido[1,2-a]azocin-6-one

8-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-3-(1-ethylpiperidin-4-yl)-9-methyl-9,10-dihydropyrido[1,2-a]azocin-6-one (PubChem CID 123964660) has the molecular formula C28H34N4O and a molecular weight of 442.61 g/mol. Its IUPAC name is 8-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-3-(1-ethylpiperidin-4-yl)-9-methyl-9,10-dihydropyrido[1,2-a]azocin-6-one.

Molecular Properties

Compound Name8-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-3-(1-ethylpiperidin-4-yl)-9-methyl-9,10-dihydropyrido[1,2-a]azocin-6-one
PubChem CID123964660
Molecular FormulaC28H34N4O
Molecular Weight442.61 g/mol
Exact Mass442.27
IUPAC Name8-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-3-(1-ethylpiperidin-4-yl)-9-methyl-9,10-dihydropyrido[1,2-a]azocin-6-one
SMILESCCN1CCC(C2=CN3C(=O)C=C(c4cc(C)c5nc(C)cn5c4)C(C)CC=C3C=C2)CC1
InChIInChI=1S/C28H34N4O/c1-5-30-12-10-22(11-13-30)23-7-9-25-8-6-19(2)26(15-27(33)32(25)18-23)24-14-20(3)28-29-21(4)16-31(28)17-24/h7-9,14-19,22H,5-6,10-13H2,1-4H3
InChIKeyHEUNGQRDVDZLSF-UHFFFAOYSA-N
XLogP5.27
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.61
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-3-(1-ethylpiperidin-4-yl)-9-methyl-9,10-dihydropyrido[1,2-a]azocin-6-one with MolForge

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Related Compounds

5-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-10-(1-ethylpiperidin-4-yl)-8-azatricyclo[6.4.0.01,3]dodeca-3,5,9,11-tetraen-7-one
CID 142362100
9-methyl-8-(2-methyl-1,3-benzothiazol-6-yl)-3-(1-methylpiperidin-4-yl)-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123971936
8-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-[4-(2-methoxyethyl)piperazin-1-yl]-9-methyl-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123883919
8-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]-9-methyl-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123618205
8-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-methyl-2-(1-methylpiperidin-4-yl)-6,7-dihydropyridazino[1,6-a]azocin-10-one
CID 123794412
2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-(1-ethylpiperidin-4-yl)-4H-pyrazino[1,2-a]pyrimidine
CID 141381123
3-[4-(diethylamino)piperidin-1-yl]-8-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123446416
8-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123774297
9-methyl-3-(5-methylazonan-1-yl)-8-(2-methyl-1,3-benzothiazol-6-yl)-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123526991
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
3-[1-(2-hydroxyethyl)piperidin-4-yl]-1,9-dimethyl-8-(1-methylindazol-5-yl)-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123562864
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

Frequently Asked Questions

What is the IUPAC name of 8-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-3-(1-ethylpiperidin-4-yl)-9-methyl-9,10-dihydropyrido[1,2-a]azocin-6-one?
The IUPAC name of 8-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-3-(1-ethylpiperidin-4-yl)-9-methyl-9,10-dihydropyrido[1,2-a]azocin-6-one (CID 123964660) is 8-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-3-(1-ethylpiperidin-4-yl)-9-methyl-9,10-dihydropyrido[1,2-a]azocin-6-one.
What is the SMILES notation for 8-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-3-(1-ethylpiperidin-4-yl)-9-methyl-9,10-dihydropyrido[1,2-a]azocin-6-one?
The canonical SMILES for 8-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-3-(1-ethylpiperidin-4-yl)-9-methyl-9,10-dihydropyrido[1,2-a]azocin-6-one is CCN1CCC(C2=CN3C(=O)C=C(c4cc(C)c5nc(C)cn5c4)C(C)CC=C3C=C2)CC1.
What is the InChIKey of 8-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-3-(1-ethylpiperidin-4-yl)-9-methyl-9,10-dihydropyrido[1,2-a]azocin-6-one?
The InChIKey is HEUNGQRDVDZLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O/c1-5-30-12-10-22(11-13-30)23-7-9-25-8-6-19(2)26(15-27(33)32(25)18-23)24-14-20(3)28-29-21(4)16-31(28)17-24/h7-9,14-19,22H,5-6,10-13H2,1-4H3.
What are the key properties of 8-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-3-(1-ethylpiperidin-4-yl)-9-methyl-9,10-dihydropyrido[1,2-a]azocin-6-one?
8-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-3-(1-ethylpiperidin-4-yl)-9-methyl-9,10-dihydropyrido[1,2-a]azocin-6-one has a molecular weight of 442.61 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-3-(1-ethylpiperidin-4-yl)-9-methyl-9,10-dihydropyrido[1,2-a]azocin-6-one is sourced from PubChem (CID 123964660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).