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

C21H27N5O — CID 123165326

IUPAC9-methyl-8-(4-methylimidazol-1-yl)-3-(3-methylpiperazin-1-yl)-9,10-dihydropyrido[1,2-a]azocin-6-one
SMILESCc1cn(C2=CC(=O)N3C=C(N4CCNC(C)C4)C=CC3=CCC2C)cn1
InChIInChI=1S/C21H27N5O/c1-15-4-5-18-6-7-19(24-9-8-22-16(2)11-24)13-26(18)21(27)10-20(15)25-12-17(3)23-14-25/h5-7,10,12-16,22H,4,8-9,11H2,1-3H3
InChIKeyRUPZJWGYOHFLDF-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.49
Rot. Bonds2

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

9-methyl-8-(4-methylimidazol-1-yl)-3-(3-methylpiperazin-1-yl)-9,10-dihydropyrido[1,2-a]azocin-6-one (PubChem CID 123165326) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 9-methyl-8-(4-methylimidazol-1-yl)-3-(3-methylpiperazin-1-yl)-9,10-dihydropyrido[1,2-a]azocin-6-one.

Molecular Properties

Compound Name9-methyl-8-(4-methylimidazol-1-yl)-3-(3-methylpiperazin-1-yl)-9,10-dihydropyrido[1,2-a]azocin-6-one
PubChem CID123165326
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name9-methyl-8-(4-methylimidazol-1-yl)-3-(3-methylpiperazin-1-yl)-9,10-dihydropyrido[1,2-a]azocin-6-one
SMILESCc1cn(C2=CC(=O)N3C=C(N4CCNC(C)C4)C=CC3=CCC2C)cn1
InChIInChI=1S/C21H27N5O/c1-15-4-5-18-6-7-19(24-9-8-22-16(2)11-24)13-26(18)21(27)10-20(15)25-12-17(3)23-14-25/h5-7,10,12-16,22H,4,8-9,11H2,1-3H3
InChIKeyRUPZJWGYOHFLDF-UHFFFAOYSA-N
XLogP2.49
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9-methyl-8-(4-methylimidazol-1-yl)-3-(3-methylpiperazin-1-yl)-9,10-dihydropyrido[1,2-a]azocin-6-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-[3-(difluoromethoxy)-4-methoxyphenyl]-9-methyl-3-(3-methylpiperazin-1-yl)-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123181368
9-methyl-3-piperazin-1-yl-8-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123920499
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
2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
CID 142362082
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
8-[(9Z)-2,3-dimethyl-3,4,5,6-tetrahydrocycloocta[b]pyridin-8-yl]-9-methyl-3-piperazin-1-yl-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123332255
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-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-1,9-dimethyl-3-piperazin-1-yl-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123762775
(2R)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(3-methylpiperazin-1-yl)-4-oxo-3H-pyrido[1,2-a][1,3,5]triazine-2-carboxylic acid
CID 172554646
5-methyl-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine
CID 104977378
(7E)-3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-8-(10-chloro-2-methyl-3,4,5,6-tetrahydrocycloocta[b]pyridin-8-yl)-9-methyl-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123217346
5-iodo-2-(3-methylpiperazin-1-yl)pyrimidine
CID 116648329

Frequently Asked Questions

What is the IUPAC name of 9-methyl-8-(4-methylimidazol-1-yl)-3-(3-methylpiperazin-1-yl)-9,10-dihydropyrido[1,2-a]azocin-6-one?
The IUPAC name of 9-methyl-8-(4-methylimidazol-1-yl)-3-(3-methylpiperazin-1-yl)-9,10-dihydropyrido[1,2-a]azocin-6-one (CID 123165326) is 9-methyl-8-(4-methylimidazol-1-yl)-3-(3-methylpiperazin-1-yl)-9,10-dihydropyrido[1,2-a]azocin-6-one.
What is the SMILES notation for 9-methyl-8-(4-methylimidazol-1-yl)-3-(3-methylpiperazin-1-yl)-9,10-dihydropyrido[1,2-a]azocin-6-one?
The canonical SMILES for 9-methyl-8-(4-methylimidazol-1-yl)-3-(3-methylpiperazin-1-yl)-9,10-dihydropyrido[1,2-a]azocin-6-one is Cc1cn(C2=CC(=O)N3C=C(N4CCNC(C)C4)C=CC3=CCC2C)cn1.
What is the InChIKey of 9-methyl-8-(4-methylimidazol-1-yl)-3-(3-methylpiperazin-1-yl)-9,10-dihydropyrido[1,2-a]azocin-6-one?
The InChIKey is RUPZJWGYOHFLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-15-4-5-18-6-7-19(24-9-8-22-16(2)11-24)13-26(18)21(27)10-20(15)25-12-17(3)23-14-25/h5-7,10,12-16,22H,4,8-9,11H2,1-3H3.
What are the key properties of 9-methyl-8-(4-methylimidazol-1-yl)-3-(3-methylpiperazin-1-yl)-9,10-dihydropyrido[1,2-a]azocin-6-one?
9-methyl-8-(4-methylimidazol-1-yl)-3-(3-methylpiperazin-1-yl)-9,10-dihydropyrido[1,2-a]azocin-6-one has a molecular weight of 365.48 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-8-(4-methylimidazol-1-yl)-3-(3-methylpiperazin-1-yl)-9,10-dihydropyrido[1,2-a]azocin-6-one is sourced from PubChem (CID 123165326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).