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

C27H32FN5O2 — CID 123883919

IUPAC8-(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
SMILESCOCCN1CCN(C2=CN3C(=O)C=C(c4cc(F)c5nc(C)cn5c4)C(C)CC=C3C=C2)CC1
InChIInChI=1S/C27H32FN5O2/c1-19-4-5-22-6-7-23(31-10-8-30(9-11-31)12-13-35-3)18-33(22)26(34)15-24(19)21-14-25(28)27-29-20(2)16-32(27)17-21/h5-7,14-19H,4,8-13H2,1-3H3
InChIKeyOZGBRGQFAWHIGI-UHFFFAOYSA-N
MW477.58 g/mol
LogP3.59
Rot. Bonds5

About 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

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 (PubChem CID 123883919) has the molecular formula C27H32FN5O2 and a molecular weight of 477.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-(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
PubChem CID123883919
Molecular FormulaC27H32FN5O2
Molecular Weight477.58 g/mol
Exact Mass477.25
IUPAC Name8-(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
SMILESCOCCN1CCN(C2=CN3C(=O)C=C(c4cc(F)c5nc(C)cn5c4)C(C)CC=C3C=C2)CC1
InChIInChI=1S/C27H32FN5O2/c1-19-4-5-22-6-7-23(31-10-8-30(9-11-31)12-13-35-3)18-33(22)26(34)15-24(19)21-14-25(28)27-29-20(2)16-32(27)17-21/h5-7,14-19H,4,8-13H2,1-3H3
InChIKeyOZGBRGQFAWHIGI-UHFFFAOYSA-N
XLogP3.59
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.58
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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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
7-[(3S)-3,4-dimethylpiperazin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
CID 144885515
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
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-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-3-(3-methyl-4-propylpiperazin-1-yl)-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123624048
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
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
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
6-[8-fluoro-2-[1-(3-methoxypropyl)piperidin-4-yl]imidazo[1,2-a]pyridin-6-yl]-2,8-dimethylimidazo[1,2-b]pyridazine
CID 170593597
(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
(E)-1-[5-[(3S)-3,4-dimethylpiperazin-1-yl]-2-methyl-2H-pyridin-1-yl]-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)but-2-en-1-one
CID 145200093

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COCCN1CCN(C2=CN3C(=O)C=C(c4cc(F)c5nc(C)cn5c4)C(C)CC=C3C=C2)CC1.
What is the InChIKey of 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?
The InChIKey is OZGBRGQFAWHIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN5O2/c1-19-4-5-22-6-7-23(31-10-8-30(9-11-31)12-13-35-3)18-33(22)26(34)15-24(19)21-14-25(28)27-29-20(2)16-32(27)17-21/h5-7,14-19H,4,8-13H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 477.58 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123883919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).