[(6R)-6-(5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C26H29FN4O3 — CID 93013303

IUPAC[(6R)-6-(5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(F)cc1[C@H]1CCc2nc(C(=O)N3CCN(c4ccccc4OC)CC3)cn2C1
InChIInChI=1S/C26H29FN4O3/c1-33-23-9-8-19(27)15-20(23)18-7-10-25-28-21(17-31(25)16-18)26(32)30-13-11-29(12-14-30)22-5-3-4-6-24(22)34-2/h3-6,8-9,15,17-18H,7,10-14,16H2,1-2H3/t18-/m0/s1
InChIKeyUMJALDMLWUWTJW-SFHVURJKSA-N
MW464.54 g/mol
LogP3.73
Rot. Bonds5

About [(6R)-6-(5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

[(6R)-6-(5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 93013303) has the molecular formula C26H29FN4O3 and a molecular weight of 464.54 g/mol. Its IUPAC name is [(6R)-6-(5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(6R)-6-(5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID93013303
Molecular FormulaC26H29FN4O3
Molecular Weight464.54 g/mol
Exact Mass464.22
IUPAC Name[(6R)-6-(5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(F)cc1[C@H]1CCc2nc(C(=O)N3CCN(c4ccccc4OC)CC3)cn2C1
InChIInChI=1S/C26H29FN4O3/c1-33-23-9-8-19(27)15-20(23)18-7-10-25-28-21(17-31(25)16-18)26(32)30-13-11-29(12-14-30)22-5-3-4-6-24(22)34-2/h3-6,8-9,15,17-18H,7,10-14,16H2,1-2H3/t18-/m0/s1
InChIKeyUMJALDMLWUWTJW-SFHVURJKSA-N
XLogP3.73
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(6R)-6-(5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[6-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 46081107
[(6R)-6-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 93013400
(2-cyclopropyl-6-methylpyrimidin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 146080208
(6,8-difluoro-4-methoxyquinolin-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 71824746
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 25355761
(4-ethylpiperazin-1-yl)-[6-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone
CID 46080938
(2-bromo-4-fluorophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 9033985
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
[4-(2-methoxyphenyl)piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 30402904
(5-tert-butyl-1H-pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 110854273
[6-(cyclopropylamino)pyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109339086
[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 113210609

Frequently Asked Questions

What is the IUPAC name of [(6R)-6-(5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [(6R)-6-(5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 93013303) is [(6R)-6-(5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [(6R)-6-(5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [(6R)-6-(5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccc(F)cc1[C@H]1CCc2nc(C(=O)N3CCN(c4ccccc4OC)CC3)cn2C1.
What is the InChIKey of [(6R)-6-(5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is UMJALDMLWUWTJW-SFHVURJKSA-N. The full InChI is InChI=1S/C26H29FN4O3/c1-33-23-9-8-19(27)15-20(23)18-7-10-25-28-21(17-31(25)16-18)26(32)30-13-11-29(12-14-30)22-5-3-4-6-24(22)34-2/h3-6,8-9,15,17-18H,7,10-14,16H2,1-2H3/t18-/m0/s1.
What are the key properties of [(6R)-6-(5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
[(6R)-6-(5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 464.54 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-(5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 93013303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).