3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-1-piperidin-1-ylpropan-1-one

C21H21ClFN3O — CID 42783692

IUPAC3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-1-piperidin-1-ylpropan-1-one
SMILESO=C(CC(c1ccccc1F)c1cnc2ccc(Cl)cn12)N1CCCCC1
InChIInChI=1S/C21H21ClFN3O/c22-15-8-9-20-24-13-19(26(20)14-15)17(16-6-2-3-7-18(16)23)12-21(27)25-10-4-1-5-11-25/h2-3,6-9,13-14,17H,1,4-5,10-12H2
InChIKeyLMNOONCBTOUSTF-UHFFFAOYSA-N
MW385.87 g/mol
LogP4.66
Rot. Bonds4

About 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-1-piperidin-1-ylpropan-1-one

3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-1-piperidin-1-ylpropan-1-one (PubChem CID 42783692) has the molecular formula C21H21ClFN3O and a molecular weight of 385.87 g/mol. Its IUPAC name is 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-1-piperidin-1-ylpropan-1-one
PubChem CID42783692
Molecular FormulaC21H21ClFN3O
Molecular Weight385.87 g/mol
Exact Mass385.14
IUPAC Name3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-1-piperidin-1-ylpropan-1-one
SMILESO=C(CC(c1ccccc1F)c1cnc2ccc(Cl)cn12)N1CCCCC1
InChIInChI=1S/C21H21ClFN3O/c22-15-8-9-20-24-13-19(26(20)14-15)17(16-6-2-3-7-18(16)23)12-21(27)25-10-4-1-5-11-25/h2-3,6-9,13-14,17H,1,4-5,10-12H2
InChIKeyLMNOONCBTOUSTF-UHFFFAOYSA-N
XLogP4.66
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.87
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzylpiperazin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)propan-1-one
CID 4280472
1-(4-benzhydrylpiperazin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)propan-1-one
CID 5081170
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenyl-1-piperidin-1-ylpropan-1-one
CID 42783664
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 3378409
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-methoxyphenyl)propan-1-one
CID 4191341
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
(3R)-3-(2-fluorophenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 26392913
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
1-(4-benzylpiperazin-1-yl)-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 4575528
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 4532247

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-1-piperidin-1-ylpropan-1-one (CID 42783692) is 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-1-piperidin-1-ylpropan-1-one is O=C(CC(c1ccccc1F)c1cnc2ccc(Cl)cn12)N1CCCCC1.
What is the InChIKey of 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-1-piperidin-1-ylpropan-1-one?
The InChIKey is LMNOONCBTOUSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClFN3O/c22-15-8-9-20-24-13-19(26(20)14-15)17(16-6-2-3-7-18(16)23)12-21(27)25-10-4-1-5-11-25/h2-3,6-9,13-14,17H,1,4-5,10-12H2.
What are the key properties of 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-1-piperidin-1-ylpropan-1-one?
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-1-piperidin-1-ylpropan-1-one has a molecular weight of 385.87 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 42783692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).