1-(4-benzylpiperazin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)propan-1-one

C27H26ClFN4O — CID 4280472

IUPAC1-(4-benzylpiperazin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)propan-1-one
SMILESO=C(CC(c1ccccc1F)c1cnc2ccc(Cl)cn12)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H26ClFN4O/c28-21-10-11-26-30-17-25(33(26)19-21)23(22-8-4-5-9-24(22)29)16-27(34)32-14-12-31(13-15-32)18-20-6-2-1-3-7-20/h1-11,17,19,23H,12-16,18H2
InChIKeyUBKKMFHWDREPMA-UHFFFAOYSA-N
MW476.98 g/mol
LogP4.99
Rot. Bonds6

About 1-(4-benzylpiperazin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)propan-1-one

1-(4-benzylpiperazin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)propan-1-one (PubChem CID 4280472) has the molecular formula C27H26ClFN4O and a molecular weight of 476.98 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)propan-1-one
PubChem CID4280472
Molecular FormulaC27H26ClFN4O
Molecular Weight476.98 g/mol
Exact Mass476.18
IUPAC Name1-(4-benzylpiperazin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)propan-1-one
SMILESO=C(CC(c1ccccc1F)c1cnc2ccc(Cl)cn12)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H26ClFN4O/c28-21-10-11-26-30-17-25(33(26)19-21)23(22-8-4-5-9-24(22)29)16-27(34)32-14-12-31(13-15-32)18-20-6-2-1-3-7-20/h1-11,17,19,23H,12-16,18H2
InChIKeyUBKKMFHWDREPMA-UHFFFAOYSA-N
XLogP4.99
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.98
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-benzhydrylpiperazin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)propan-1-one
CID 5081170
1-(4-benzylpiperazin-1-yl)-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 4575528
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenyl-1-piperidin-1-ylpropan-1-one
CID 42783664
1-(4-benzylpiperidin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one
CID 4227777
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 42783702
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 4532247
3-(2-fluorophenyl)-3-(6-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid
CID 42879894
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylpropan-1-one
CID 42783658
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 42783669
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
CID 42783657
1-(4-benzylpiperazin-1-yl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 56921578
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3,5-dimethoxyphenyl)propan-1-one
CID 42784245

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)propan-1-one?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)propan-1-one (CID 4280472) is 1-(4-benzylpiperazin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)propan-1-one.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)propan-1-one?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)propan-1-one is O=C(CC(c1ccccc1F)c1cnc2ccc(Cl)cn12)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)propan-1-one?
The InChIKey is UBKKMFHWDREPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClFN4O/c28-21-10-11-26-30-17-25(33(26)19-21)23(22-8-4-5-9-24(22)29)16-27(34)32-14-12-31(13-15-32)18-20-6-2-1-3-7-20/h1-11,17,19,23H,12-16,18H2.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)propan-1-one?
1-(4-benzylpiperazin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)propan-1-one has a molecular weight of 476.98 g/mol, XLogP of 4.99, 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-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)propan-1-one is sourced from PubChem (CID 4280472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).