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

C25H28ClN5O — CID 123794412

IUPAC8-(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
SMILESCc1cn2cc(C3=CC(=O)N4N=C(C5CCN(C)CC5)C=CC4=CCC3C)cc(Cl)c2n1
InChIInChI=1S/C25H28ClN5O/c1-16-4-5-20-6-7-23(18-8-10-29(3)11-9-18)28-31(20)24(32)13-21(16)19-12-22(26)25-27-17(2)14-30(25)15-19/h5-7,12-16,18H,4,8-11H2,1-3H3
InChIKeyXROVWIUDIQYIIH-UHFFFAOYSA-N
MW449.99 g/mol
LogP4.70
Rot. Bonds2

About 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

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 (PubChem CID 123794412) has the molecular formula C25H28ClN5O and a molecular weight of 449.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-(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
PubChem CID123794412
Molecular FormulaC25H28ClN5O
Molecular Weight449.99 g/mol
Exact Mass449.20
IUPAC Name8-(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
SMILESCc1cn2cc(C3=CC(=O)N4N=C(C5CCN(C)CC5)C=CC4=CCC3C)cc(Cl)c2n1
InChIInChI=1S/C25H28ClN5O/c1-16-4-5-20-6-7-23(18-8-10-29(3)11-9-18)28-31(20)24(32)13-21(16)19-12-22(26)25-27-17(2)14-30(25)15-19/h5-7,12-16,18H,4,8-11H2,1-3H3
InChIKeyXROVWIUDIQYIIH-UHFFFAOYSA-N
XLogP4.70
TPSA53.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.99
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-(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
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
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
8-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-1,9-dimethyl-3-(1-methylpiperidin-4-yl)-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123640628
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
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(1-methylpyrrolidin-3-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide
CID 170747778
2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
CID 178050785
3-[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-4-yl]-9-methyl-8-(2-methyl-1,3-benzothiazol-6-yl)-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123988071
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-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-4-methylidene-7-(1-methylpiperidin-4-yl)pyrimido[1,2-b]pyridazine
CID 163828264

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cn2cc(C3=CC(=O)N4N=C(C5CCN(C)CC5)C=CC4=CCC3C)cc(Cl)c2n1.
What is the InChIKey of 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?
The InChIKey is XROVWIUDIQYIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O/c1-16-4-5-20-6-7-23(18-8-10-29(3)11-9-18)28-31(20)24(32)13-21(16)19-12-22(26)25-27-17(2)14-30(25)15-19/h5-7,12-16,18H,4,8-11H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 449.99 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123794412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).