1-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]butan-1-one

C22H24ClN3O2 — CID 157343544

IUPAC1-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]butan-1-one
SMILESCCCC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1
InChIInChI=1S/C22H24ClN3O2/c1-2-3-20(27)17-6-9-21-24-22(16-4-7-18(23)8-5-16)19(26(21)14-17)15-25-10-12-28-13-11-25/h4-9,14H,2-3,10-13,15H2,1H3
InChIKeyWEJRZSYRUPWDNF-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.47
Rot. Bonds6

About 1-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]butan-1-one

1-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]butan-1-one (PubChem CID 157343544) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]butan-1-one.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]butan-1-one
PubChem CID157343544
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name1-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]butan-1-one
SMILESCCCC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1
InChIInChI=1S/C22H24ClN3O2/c1-2-3-20(27)17-6-9-21-24-22(16-4-7-18(23)8-5-16)19(26(21)14-17)15-25-10-12-28-13-11-25/h4-9,14H,2-3,10-13,15H2,1H3
InChIKeyWEJRZSYRUPWDNF-UHFFFAOYSA-N
XLogP4.47
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]butan-1-one with MolForge

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Related Compounds

1-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
CID 2757434
4-[[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 91635527
4-[[2-(4-chlorophenyl)-6-(3-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 121309794
4-[[2-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 121309666
2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 58043076
[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-(2,4-dichlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 121309712
[4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 121309825
4-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]benzonitrile
CID 121309937
[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-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 91635942
1-[1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidin-4-yl]-2-methoxyethanone
CID 121309686

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]butan-1-one?
The IUPAC name of 1-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]butan-1-one (CID 157343544) is 1-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]butan-1-one.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]butan-1-one?
The canonical SMILES for 1-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]butan-1-one is CCCC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]butan-1-one?
The InChIKey is WEJRZSYRUPWDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-2-3-20(27)17-6-9-21-24-22(16-4-7-18(23)8-5-16)19(26(21)14-17)15-25-10-12-28-13-11-25/h4-9,14H,2-3,10-13,15H2,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]butan-1-one?
1-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]butan-1-one has a molecular weight of 397.91 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]butan-1-one is sourced from PubChem (CID 157343544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).