3-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one

C26H24ClN3O — CID 91634623

IUPAC3-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCc1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3)cn12)N1CCCC1
InChIInChI=1S/C26H24ClN3O/c27-22-11-8-20(9-12-22)26-23(13-15-25(31)29-16-4-5-17-29)30-18-21(10-14-24(30)28-26)19-6-2-1-3-7-19/h1-3,6-12,14,18H,4-5,13,15-17H2
InChIKeyLVWJXESGZPKQBZ-UHFFFAOYSA-N
MW429.95 g/mol
LogP5.88
Rot. Bonds5

About 3-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one

3-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 91634623) has the molecular formula C26H24ClN3O and a molecular weight of 429.95 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID91634623
Molecular FormulaC26H24ClN3O
Molecular Weight429.95 g/mol
Exact Mass429.16
IUPAC Name3-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCc1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3)cn12)N1CCCC1
InChIInChI=1S/C26H24ClN3O/c27-22-11-8-20(9-12-22)26-23(13-15-25(31)29-16-4-5-17-29)30-18-21(10-14-24(30)28-26)19-6-2-1-3-7-19/h1-3,6-12,14,18H,4-5,13,15-17H2
InChIKeyLVWJXESGZPKQBZ-UHFFFAOYSA-N
XLogP5.88
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.95
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3R)-1-[3-[6-(2-chlorophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-3-carboxylate
CID 97037482
1-[1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidin-4-yl]-2-methoxyethanone
CID 121309686
1-[3-[6-(2-chlorophenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-4-carboxamide
CID 83285003
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone
CID 121309759
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 121309789
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 121309682
N-benzyl-3-(2,6-diphenylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 91634258
ethyl (3S)-1-[3-[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-3-carboxylate
CID 97037205
[6-chloro-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 39132848
3-[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 83276197
1-[3-[6-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-4-carboxamide
CID 83287026
3-[6-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 91635351

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 91634623) is 3-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one is O=C(CCc1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3)cn12)N1CCCC1.
What is the InChIKey of 3-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is LVWJXESGZPKQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O/c27-22-11-8-20(9-12-22)26-23(13-15-25(31)29-16-4-5-17-29)30-18-21(10-14-24(30)28-26)19-6-2-1-3-7-19/h1-3,6-12,14,18H,4-5,13,15-17H2.
What are the key properties of 3-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one?
3-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 429.95 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 91634623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).