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

C27H31FN4O2 — CID 22980265

IUPAC4-[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
SMILESCc1cccc(CN2CCN(CCc3cnc4n3C(c3cccc(F)c3)CCC4O)CC2=O)c1
InChIInChI=1S/C27H31FN4O2/c1-19-4-2-5-20(14-19)17-31-13-12-30(18-26(31)34)11-10-23-16-29-27-25(33)9-8-24(32(23)27)21-6-3-7-22(28)15-21/h2-7,14-16,24-25,33H,8-13,17-18H2,1H3
InChIKeyULXQVPKPBXWJEF-UHFFFAOYSA-N
MW462.57 g/mol
LogP3.63
Rot. Bonds6

About 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

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 (PubChem CID 22980265) has the molecular formula C27H31FN4O2 and a molecular weight of 462.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID22980265
Molecular FormulaC27H31FN4O2
Molecular Weight462.57 g/mol
Exact Mass462.24
IUPAC Name4-[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
SMILESCc1cccc(CN2CCN(CCc3cnc4n3C(c3cccc(F)c3)CCC4O)CC2=O)c1
InChIInChI=1S/C27H31FN4O2/c1-19-4-2-5-20(14-19)17-31-13-12-30(18-26(31)34)11-10-23-16-29-27-25(33)9-8-24(32(23)27)21-6-3-7-22(28)15-21/h2-7,14-16,24-25,33H,8-13,17-18H2,1H3
InChIKeyULXQVPKPBXWJEF-UHFFFAOYSA-N
XLogP3.63
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
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
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-amino-1,3-thiazol-5-yl)methyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one;hydrochloride
CID 120903826
(5R)-5-[3-[4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 97118518
1-[(3-methylphenyl)methyl]-4-[3-[(3R)-1-methylpiperidin-3-yl]propanoyl]piperazin-2-one
CID 95142391
6-hydroxy-4-[(3-methylphenyl)methyl]-3-oxo-1,4-diazepane-1-carboxylic acid
CID 122540010
4-[(2R)-2-hydroxypropanoyl]-1-[(3-methylphenyl)methyl]piperazin-2-one
CID 95870160
1-[(3-methylphenyl)methyl]-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperazin-2-one
CID 25458230
4-(5,6-dimethylpyrimidin-4-yl)-1-[(3-methylphenyl)methyl]piperazin-2-one
CID 171324156
1-[(3-fluorophenyl)methyl]aziridin-2-one
CID 88919956

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc(CN2CCN(CCc3cnc4n3C(c3cccc(F)c3)CCC4O)CC2=O)c1.
What is the InChIKey of 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?
The InChIKey is ULXQVPKPBXWJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN4O2/c1-19-4-2-5-20(14-19)17-31-13-12-30(18-26(31)34)11-10-23-16-29-27-25(33)9-8-24(32(23)27)21-6-3-7-22(28)15-21/h2-7,14-16,24-25,33H,8-13,17-18H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 462.57 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 22980265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).