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

C27H30N4O — CID 142362100

IUPAC5-(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
SMILESCCN1CCC(C2=CN3C(=O)C=C(c4cc(C)c5nc(C)cn5c4)C=C4CC43C=C2)CC1
InChIInChI=1S/C27H30N4O/c1-4-29-9-6-20(7-10-29)21-5-8-27-14-24(27)12-22(13-25(32)31(27)17-21)23-11-18(2)26-28-19(3)15-30(26)16-23/h5,8,11-13,15-17,20H,4,6-7,9-10,14H2,1-3H3
InChIKeyKKNDDPXAKCNGHI-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.43
Rot. Bonds3

About 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

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 (PubChem CID 142362100) has the molecular formula C27H30N4O and a molecular weight of 426.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID142362100
Molecular FormulaC27H30N4O
Molecular Weight426.56 g/mol
Exact Mass426.24
IUPAC Name5-(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
SMILESCCN1CCC(C2=CN3C(=O)C=C(c4cc(C)c5nc(C)cn5c4)C=C4CC43C=C2)CC1
InChIInChI=1S/C27H30N4O/c1-4-29-9-6-20(7-10-29)21-5-8-27-14-24(27)12-22(13-25(32)31(27)17-21)23-11-18(2)26-28-19(3)15-30(26)16-23/h5,8,11-13,15-17,20H,4,6-7,9-10,14H2,1-3H3
InChIKeyKKNDDPXAKCNGHI-UHFFFAOYSA-N
XLogP4.43
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 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

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
2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-(1-ethylpiperidin-4-yl)-4H-pyrazino[1,2-a]pyrimidine
CID 141381123
7-(1-ethylpiperidin-4-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-9-methylpyrazino[1,2-a]pyrimidin-4-one
CID 137374129
2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-yl-4H-pyrido[1,2-a]pyrimidine
CID 137374325
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
4-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)benzoic acid
CID 82063350
6-(2-ethyl-6-piperazin-1-yl-3-pyridinyl)-2,8-dimethylimidazo[1,2-a]pyridine
CID 163875877
2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-(1-ethylpiperidin-4-yl)pyrazino[1,2-a]pyrimidin-4-one;2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-(1-methylpiperidin-4-yl)pyrazino[1,2-a]pyrimidin-4-one;7-(4-ethylpiperazin-1-yl)-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one;7-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2-methylindazol-5-yl)pyrazino[1,2-a]pyrimidin-4-one
CID 159565827
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
2,8-dimethylimidazo[1,2-a]pyridine-6-carboxylic acid
CID 83967374
2-[(3Z)-3-ethylidene-4-iminocyclohexa-1,5-dien-1-yl]-7-(1-ethylpiperidin-4-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 163301226
2-(1-ethylpiperidin-4-yl)-6-methyl-3H-quinazolin-4-one
CID 137298702

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN1CCC(C2=CN3C(=O)C=C(c4cc(C)c5nc(C)cn5c4)C=C4CC43C=C2)CC1.
What is the InChIKey of 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?
The InChIKey is KKNDDPXAKCNGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O/c1-4-29-9-6-20(7-10-29)21-5-8-27-14-24(27)12-22(13-25(32)31(27)17-21)23-11-18(2)26-28-19(3)15-30(26)16-23/h5,8,11-13,15-17,20H,4,6-7,9-10,14H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 426.56 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142362100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).