4-[2-[5-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethyl]-1-[(3-methylphenyl)methyl]piperazin-2-one

C27H31FN4O — CID 22980263

IUPAC4-[2-[5-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethyl]-1-[(3-methylphenyl)methyl]piperazin-2-one
SMILESCc1cccc(CN2CCN(CCc3cnc4n3C(c3cccc(F)c3)CCC4)CC2=O)c1
InChIInChI=1S/C27H31FN4O/c1-20-5-2-6-21(15-20)18-31-14-13-30(19-27(31)33)12-11-24-17-29-26-10-4-9-25(32(24)26)22-7-3-8-23(28)16-22/h2-3,5-8,15-17,25H,4,9-14,18-19H2,1H3
InChIKeyNAFMMCAUEBDZLT-UHFFFAOYSA-N
MW446.57 g/mol
LogP4.14
Rot. Bonds6

About 4-[2-[5-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethyl]-1-[(3-methylphenyl)methyl]piperazin-2-one

4-[2-[5-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethyl]-1-[(3-methylphenyl)methyl]piperazin-2-one (PubChem CID 22980263) has the molecular formula C27H31FN4O and a molecular weight of 446.57 g/mol. Its IUPAC name is 4-[2-[5-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethyl]-1-[(3-methylphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-[5-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethyl]-1-[(3-methylphenyl)methyl]piperazin-2-one
PubChem CID22980263
Molecular FormulaC27H31FN4O
Molecular Weight446.57 g/mol
Exact Mass446.25
IUPAC Name4-[2-[5-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethyl]-1-[(3-methylphenyl)methyl]piperazin-2-one
SMILESCc1cccc(CN2CCN(CCc3cnc4n3C(c3cccc(F)c3)CCC4)CC2=O)c1
InChIInChI=1S/C27H31FN4O/c1-20-5-2-6-21(15-20)18-31-14-13-30(19-27(31)33)12-11-24-17-29-26-10-4-9-25(32(24)26)22-7-3-8-23(28)16-22/h2-3,5-8,15-17,25H,4,9-14,18-19H2,1H3
InChIKeyNAFMMCAUEBDZLT-UHFFFAOYSA-N
XLogP4.14
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2-[5-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethyl]-1-[(3-methylphenyl)methyl]piperazin-2-one with MolForge

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Related Compounds

4-[2-[5-(3-fluorophenyl)-8-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethyl]-1-[(3-methylphenyl)methyl]piperazin-2-one
CID 22980265
1-[(3-methylphenyl)methyl]-4-(2-pyrazol-1-ylethyl)piperazin-2-one
CID 171328542
4-[(1-methyl-6-oxopiperidin-3-yl)methyl]-1-[(3-methylphenyl)methyl]piperazin-2-one
CID 138382775
4-[2-[5-(3-fluorophenyl)-8-methoxycarbothioyloxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethyl]-1-(3-methylsulfanylphenyl)piperazin-2-one
CID 22980266
4-[(2-amino-1,3-thiazol-5-yl)methyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one;hydrochloride
CID 120903826
2-[(3-methylphenyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79929408
4-(5,6-dimethylpyrimidin-4-yl)-1-[(3-methylphenyl)methyl]piperazin-2-one
CID 171324156
1-[2-(3-methylphenyl)ethyl]pyrrolidin-3-one
CID 62315382
4-[(2R)-2-hydroxypropanoyl]-1-[(3-methylphenyl)methyl]piperazin-2-one
CID 95870160
1-[(3-fluorophenyl)methyl]aziridin-2-one
CID 88919956
(3S)-3-[2-(3-benzylimidazol-4-yl)ethyl]-1-[(3-methylphenyl)methyl]pyrrolidin-2-one
CID 58120227
1-[(3-fluorophenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-2-one
CID 133353797

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethyl]-1-[(3-methylphenyl)methyl]piperazin-2-one?
The IUPAC name of 4-[2-[5-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethyl]-1-[(3-methylphenyl)methyl]piperazin-2-one (CID 22980263) is 4-[2-[5-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethyl]-1-[(3-methylphenyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[2-[5-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethyl]-1-[(3-methylphenyl)methyl]piperazin-2-one?
The canonical SMILES for 4-[2-[5-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethyl]-1-[(3-methylphenyl)methyl]piperazin-2-one is Cc1cccc(CN2CCN(CCc3cnc4n3C(c3cccc(F)c3)CCC4)CC2=O)c1.
What is the InChIKey of 4-[2-[5-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethyl]-1-[(3-methylphenyl)methyl]piperazin-2-one?
The InChIKey is NAFMMCAUEBDZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN4O/c1-20-5-2-6-21(15-20)18-31-14-13-30(19-27(31)33)12-11-24-17-29-26-10-4-9-25(32(24)26)22-7-3-8-23(28)16-22/h2-3,5-8,15-17,25H,4,9-14,18-19H2,1H3.
What are the key properties of 4-[2-[5-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethyl]-1-[(3-methylphenyl)methyl]piperazin-2-one?
4-[2-[5-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethyl]-1-[(3-methylphenyl)methyl]piperazin-2-one has a molecular weight of 446.57 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethyl]-1-[(3-methylphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 22980263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).