1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one

C26H25N3O — CID 42783760

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one
SMILESCc1cccn2c(C(CC(=O)N3CCc4ccccc4C3)c3ccccc3)cnc12
InChIInChI=1S/C26H25N3O/c1-19-8-7-14-29-24(17-27-26(19)29)23(21-10-3-2-4-11-21)16-25(30)28-15-13-20-9-5-6-12-22(20)18-28/h2-12,14,17,23H,13,15-16,18H2,1H3
InChIKeyKVRWZGIYGXJROZ-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.75
Rot. Bonds4

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one (PubChem CID 42783760) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one
PubChem CID42783760
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one
SMILESCc1cccn2c(C(CC(=O)N3CCc4ccccc4C3)c3ccccc3)cnc12
InChIInChI=1S/C26H25N3O/c1-19-8-7-14-29-24(17-27-26(19)29)23(21-10-3-2-4-11-21)16-25(30)28-15-13-20-9-5-6-12-22(20)18-28/h2-12,14,17,23H,13,15-16,18H2,1H3
InChIKeyKVRWZGIYGXJROZ-UHFFFAOYSA-N
XLogP4.75
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylpiperazin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one
CID 4695381
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylpropan-1-one
CID 42783658
3-(2-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-morpholin-4-ylpropan-1-one
CID 42783751
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
(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
(3S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-5-oxopentanoic acid
CID 41244365
2-[benzhydryl(methyl)amino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 27071730
(3S)-3-[4-(dimethylamino)phenyl]-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 7306960
2-(benzhydrylamino)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 8005837
1-(4-benzhydrylpiperazin-1-yl)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropan-1-one
CID 5058665
3-(1,3-benzodioxol-5-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one
CID 42783800
1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3,3-diphenylpropan-1-one
CID 121191045

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one (CID 42783760) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one is Cc1cccn2c(C(CC(=O)N3CCc4ccccc4C3)c3ccccc3)cnc12.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one?
The InChIKey is KVRWZGIYGXJROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c1-19-8-7-14-29-24(17-27-26(19)29)23(21-10-3-2-4-11-21)16-25(30)28-15-13-20-9-5-6-12-22(20)18-28/h2-12,14,17,23H,13,15-16,18H2,1H3.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one has a molecular weight of 395.51 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 42783760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).