3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3,5-dimethoxyphenyl)propan-1-one

C27H26ClN3O3 — CID 42784245

IUPAC3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3,5-dimethoxyphenyl)propan-1-one
SMILESCOc1cc(OC)cc(C(CC(=O)N2CCc3ccccc3C2)c2cnc3ccc(Cl)cn23)c1
InChIInChI=1S/C27H26ClN3O3/c1-33-22-11-20(12-23(13-22)34-2)24(25-15-29-26-8-7-21(28)17-31(25)26)14-27(32)30-10-9-18-5-3-4-6-19(18)16-30/h3-8,11-13,15,17,24H,9-10,14,16H2,1-2H3
InChIKeyOOYWGJKGTSJNPD-UHFFFAOYSA-N
MW475.98 g/mol
LogP5.11
Rot. Bonds6

About 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3,5-dimethoxyphenyl)propan-1-one

3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3,5-dimethoxyphenyl)propan-1-one (PubChem CID 42784245) has the molecular formula C27H26ClN3O3 and a molecular weight of 475.98 g/mol. Its IUPAC name is 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3,5-dimethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3,5-dimethoxyphenyl)propan-1-one
PubChem CID42784245
Molecular FormulaC27H26ClN3O3
Molecular Weight475.98 g/mol
Exact Mass475.17
IUPAC Name3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3,5-dimethoxyphenyl)propan-1-one
SMILESCOc1cc(OC)cc(C(CC(=O)N2CCc3ccccc3C2)c2cnc3ccc(Cl)cn23)c1
InChIInChI=1S/C27H26ClN3O3/c1-33-22-11-20(12-23(13-22)34-2)24(25-15-29-26-8-7-21(28)17-31(25)26)14-27(32)30-10-9-18-5-3-4-6-19(18)16-30/h3-8,11-13,15,17,24H,9-10,14,16H2,1-2H3
InChIKeyOOYWGJKGTSJNPD-UHFFFAOYSA-N
XLogP5.11
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.98
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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)-3-phenyl-1-piperidin-1-ylpropan-1-one
CID 42783664
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 42783669
(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
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one
CID 42783760
1-(4-benzylpiperidin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one
CID 4227777
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)propan-1-one
CID 42802929
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 4568629
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-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)propan-1-one
CID 4280472
3-(4-chlorophenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1H-indol-3-yl)propan-1-one
CID 42802185
2-(2,5-dichlorophenyl)-1-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 86874247

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3,5-dimethoxyphenyl)propan-1-one?
The IUPAC name of 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) is 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3,5-dimethoxyphenyl)propan-1-one.
What is the SMILES notation for 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3,5-dimethoxyphenyl)propan-1-one?
The canonical SMILES for 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3,5-dimethoxyphenyl)propan-1-one is COc1cc(OC)cc(C(CC(=O)N2CCc3ccccc3C2)c2cnc3ccc(Cl)cn23)c1.
What is the InChIKey of 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3,5-dimethoxyphenyl)propan-1-one?
The InChIKey is OOYWGJKGTSJNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN3O3/c1-33-22-11-20(12-23(13-22)34-2)24(25-15-29-26-8-7-21(28)17-31(25)26)14-27(32)30-10-9-18-5-3-4-6-19(18)16-30/h3-8,11-13,15,17,24H,9-10,14,16H2,1-2H3.
What are the key properties of 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3,5-dimethoxyphenyl)propan-1-one?
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3,5-dimethoxyphenyl)propan-1-one has a molecular weight of 475.98 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3,5-dimethoxyphenyl)propan-1-one is sourced from PubChem (CID 42784245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).