1-(4-benzylpiperazin-1-yl)-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one

C28H29FN4O — CID 4575528

IUPAC1-(4-benzylpiperazin-1-yl)-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
SMILESCc1ccn2c(C(CC(=O)N3CCN(Cc4ccccc4)CC3)c3ccccc3F)cnc2c1
InChIInChI=1S/C28H29FN4O/c1-21-11-12-33-26(19-30-27(33)17-21)24(23-9-5-6-10-25(23)29)18-28(34)32-15-13-31(14-16-32)20-22-7-3-2-4-8-22/h2-12,17,19,24H,13-16,18,20H2,1H3
InChIKeyXGEVJKXFUDDLSW-UHFFFAOYSA-N
MW456.57 g/mol
LogP4.65
Rot. Bonds6

About 1-(4-benzylpiperazin-1-yl)-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one

1-(4-benzylpiperazin-1-yl)-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one (PubChem CID 4575528) has the molecular formula C28H29FN4O and a molecular weight of 456.57 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
PubChem CID4575528
Molecular FormulaC28H29FN4O
Molecular Weight456.57 g/mol
Exact Mass456.23
IUPAC Name1-(4-benzylpiperazin-1-yl)-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
SMILESCc1ccn2c(C(CC(=O)N3CCN(Cc4ccccc4)CC3)c3ccccc3F)cnc2c1
InChIInChI=1S/C28H29FN4O/c1-21-11-12-33-26(19-30-27(33)17-21)24(23-9-5-6-10-25(23)29)18-28(34)32-15-13-31(14-16-32)20-22-7-3-2-4-8-22/h2-12,17,19,24H,13-16,18,20H2,1H3
InChIKeyXGEVJKXFUDDLSW-UHFFFAOYSA-N
XLogP4.65
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 4532247
1-(4-benzylpiperazin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)propan-1-one
CID 4280472
3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylpropanamide
CID 42782890
3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propan-1-one
CID 42782893
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-1-piperidin-1-ylpropan-1-one
CID 42783692
1-(4-benzhydrylpiperazin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)propan-1-one
CID 5081170
(3S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-methoxyphenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 7332077
3-(2-fluorophenyl)-3-(6-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid
CID 42879894
3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 4206782
3-(3-methoxyphenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 3311606
3-(2-methoxyphenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-phenylbutan-2-yl)propanamide
CID 4155057
3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-(3-methylphenyl)propanoic acid
CID 42879887

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one (CID 4575528) is 1-(4-benzylpiperazin-1-yl)-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one is Cc1ccn2c(C(CC(=O)N3CCN(Cc4ccccc4)CC3)c3ccccc3F)cnc2c1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one?
The InChIKey is XGEVJKXFUDDLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN4O/c1-21-11-12-33-26(19-30-27(33)17-21)24(23-9-5-6-10-25(23)29)18-28(34)32-15-13-31(14-16-32)20-22-7-3-2-4-8-22/h2-12,17,19,24H,13-16,18,20H2,1H3.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one?
1-(4-benzylpiperazin-1-yl)-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one has a molecular weight of 456.57 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one is sourced from PubChem (CID 4575528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).