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

C24H24F3N5O — CID 123920499

IUPAC9-methyl-3-piperazin-1-yl-8-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-9,10-dihydropyrido[1,2-a]azocin-6-one
SMILESCC1CC=C2C=CC(N3CCNCC3)=CN2C(=O)C=C1c1ccc2nc(C(F)(F)F)cn2c1
InChIInChI=1S/C24H24F3N5O/c1-16-2-4-18-5-6-19(30-10-8-28-9-11-30)14-32(18)23(33)12-20(16)17-3-7-22-29-21(24(25,26)27)15-31(22)13-17/h3-7,12-16,28H,2,8-11H2,1H3
InChIKeyGWZYVLREAJHYMB-UHFFFAOYSA-N
MW455.48 g/mol
LogP3.81
Rot. Bonds2

About 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

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 (PubChem CID 123920499) has the molecular formula C24H24F3N5O and a molecular weight of 455.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-methyl-3-piperazin-1-yl-8-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-9,10-dihydropyrido[1,2-a]azocin-6-one
PubChem CID123920499
Molecular FormulaC24H24F3N5O
Molecular Weight455.48 g/mol
Exact Mass455.19
IUPAC Name9-methyl-3-piperazin-1-yl-8-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-9,10-dihydropyrido[1,2-a]azocin-6-one
SMILESCC1CC=C2C=CC(N3CCNCC3)=CN2C(=O)C=C1c1ccc2nc(C(F)(F)F)cn2c1
InChIInChI=1S/C24H24F3N5O/c1-16-2-4-18-5-6-19(30-10-8-28-9-11-30)14-32(18)23(33)12-20(16)17-3-7-22-29-21(24(25,26)27)15-31(22)13-17/h3-7,12-16,28H,2,8-11H2,1H3
InChIKeyGWZYVLREAJHYMB-UHFFFAOYSA-N
XLogP3.81
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-(4-ethoxy-3-fluorophenyl)-9-methyl-3-piperazin-1-yl-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123830016
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
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
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
9-methyl-8-(4-methylimidazol-1-yl)-3-(3-methylpiperazin-1-yl)-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123165326
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
8-(3,4-dimethoxyphenyl)-9-methyl-3-(1,2,3,6-tetrahydropyridin-5-yl)-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123498856
6-propan-2-yl-2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 177158713
[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone
CID 161202899
(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
(4R)-4-[1-[7-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 162543515
3-[5-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]bicyclo[1.1.1]pentan-1-amine
CID 167851938

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CC=C2C=CC(N3CCNCC3)=CN2C(=O)C=C1c1ccc2nc(C(F)(F)F)cn2c1.
What is the InChIKey of 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?
The InChIKey is GWZYVLREAJHYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O/c1-16-2-4-18-5-6-19(30-10-8-28-9-11-30)14-32(18)23(33)12-20(16)17-3-7-22-29-21(24(25,26)27)15-31(22)13-17/h3-7,12-16,28H,2,8-11H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 455.48 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123920499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).