(6-bromo-8-methylimidazo[1,2-a]pyridin-2-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone;ethane

C25H31BrN4O — CID 156793191

IUPAC(6-bromo-8-methylimidazo[1,2-a]pyridin-2-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone;ethane
SMILESCC.Cc1cc(Br)cn2cc(C(=O)N3CCC(N4CCc5ccccc5C4)CC3)nc12
InChIInChI=1S/C23H25BrN4O.C2H6/c1-16-12-19(24)14-28-15-21(25-22(16)28)23(29)26-10-7-20(8-11-26)27-9-6-17-4-2-3-5-18(17)13-27;1-2/h2-5,12,14-15,20H,6-11,13H2,1H3;1-2H3
InChIKeyWJECBEFWLYUFHP-UHFFFAOYSA-N
MW483.45 g/mol
LogP5.09
Rot. Bonds2

About (6-bromo-8-methylimidazo[1,2-a]pyridin-2-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone;ethane

(6-bromo-8-methylimidazo[1,2-a]pyridin-2-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone;ethane (PubChem CID 156793191) has the molecular formula C25H31BrN4O and a molecular weight of 483.45 g/mol. Its IUPAC name is (6-bromo-8-methylimidazo[1,2-a]pyridin-2-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone;ethane.

Molecular Properties

Compound Name(6-bromo-8-methylimidazo[1,2-a]pyridin-2-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone;ethane
PubChem CID156793191
Molecular FormulaC25H31BrN4O
Molecular Weight483.45 g/mol
Exact Mass482.17
IUPAC Name(6-bromo-8-methylimidazo[1,2-a]pyridin-2-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone;ethane
SMILESCC.Cc1cc(Br)cn2cc(C(=O)N3CCC(N4CCc5ccccc5C4)CC3)nc12
InChIInChI=1S/C23H25BrN4O.C2H6/c1-16-12-19(24)14-28-15-21(25-22(16)28)23(29)26-10-7-20(8-11-26)27-9-6-17-4-2-3-5-18(17)13-27;1-2/h2-5,12,14-15,20H,6-11,13H2,1H3;1-2H3
InChIKeyWJECBEFWLYUFHP-UHFFFAOYSA-N
XLogP5.09
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.45
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)-[(3S,4S)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]methanone
CID 156502940
(6-chloro-2-ethylpyrimidin-4-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone
CID 155109003
1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]ethanone
CID 119103450
(6-chloro-2-cyclopropylpyrimidin-4-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone
CID 155120452
(6-bromo-8-ethoxyimidazo[1,2-a]pyrazin-2-yl)-[(3S,4S)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]methanone
CID 156502845
(8-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95709770
[(3S,4S)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]-[8-[(1R)-1-methoxyethyl]-6-methylimidazo[1,2-a]pyridin-2-yl]methanone
CID 156518084
(6-bromo-7-ethylimidazo[1,2-a]pyrimidin-2-yl)-[(4S)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]methanone
CID 156793587
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 70711968
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
CID 56911536
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 119066180
1-[4-[[6-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone
CID 155120412

Frequently Asked Questions

What is the IUPAC name of (6-bromo-8-methylimidazo[1,2-a]pyridin-2-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone;ethane?
The IUPAC name of (6-bromo-8-methylimidazo[1,2-a]pyridin-2-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone;ethane (CID 156793191) is (6-bromo-8-methylimidazo[1,2-a]pyridin-2-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone;ethane.
What is the SMILES notation for (6-bromo-8-methylimidazo[1,2-a]pyridin-2-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone;ethane?
The canonical SMILES for (6-bromo-8-methylimidazo[1,2-a]pyridin-2-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone;ethane is CC.Cc1cc(Br)cn2cc(C(=O)N3CCC(N4CCc5ccccc5C4)CC3)nc12.
What is the InChIKey of (6-bromo-8-methylimidazo[1,2-a]pyridin-2-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone;ethane?
The InChIKey is WJECBEFWLYUFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN4O.C2H6/c1-16-12-19(24)14-28-15-21(25-22(16)28)23(29)26-10-7-20(8-11-26)27-9-6-17-4-2-3-5-18(17)13-27;1-2/h2-5,12,14-15,20H,6-11,13H2,1H3;1-2H3.
What are the key properties of (6-bromo-8-methylimidazo[1,2-a]pyridin-2-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone;ethane?
(6-bromo-8-methylimidazo[1,2-a]pyridin-2-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone;ethane has a molecular weight of 483.45 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-8-methylimidazo[1,2-a]pyridin-2-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone;ethane is sourced from PubChem (CID 156793191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).