[6-bromo-8-(1-methoxyethyl)imidazo[1,2-a]pyridin-2-yl]-[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]methanone

C24H27BrN4O3 — CID 156502657

IUPAC[6-bromo-8-(1-methoxyethyl)imidazo[1,2-a]pyridin-2-yl]-[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]methanone
SMILESCOC(C)c1cc(Br)cn2cc(C(=O)N3CC[C@]4(Cc5ccccc5CN4)[C@H](O)C3)nc12
InChIInChI=1S/C24H27BrN4O3/c1-15(32-2)19-9-18(25)12-29-13-20(27-22(19)29)23(31)28-8-7-24(21(30)14-28)10-16-5-3-4-6-17(16)11-26-24/h3-6,9,12-13,15,21,26,30H,7-8,10-11,14H2,1-2H3/t15?,21-,24+/m1/s1
InChIKeyBKYDFZNALOOEAN-DFQZUVNZSA-N
MW499.41 g/mol
LogP3.10
Rot. Bonds3

About [6-bromo-8-(1-methoxyethyl)imidazo[1,2-a]pyridin-2-yl]-[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]methanone

[6-bromo-8-(1-methoxyethyl)imidazo[1,2-a]pyridin-2-yl]-[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]methanone (PubChem CID 156502657) has the molecular formula C24H27BrN4O3 and a molecular weight of 499.41 g/mol. Its IUPAC name is [6-bromo-8-(1-methoxyethyl)imidazo[1,2-a]pyridin-2-yl]-[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]methanone.

Molecular Properties

Compound Name[6-bromo-8-(1-methoxyethyl)imidazo[1,2-a]pyridin-2-yl]-[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]methanone
PubChem CID156502657
Molecular FormulaC24H27BrN4O3
Molecular Weight499.41 g/mol
Exact Mass498.13
IUPAC Name[6-bromo-8-(1-methoxyethyl)imidazo[1,2-a]pyridin-2-yl]-[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]methanone
SMILESCOC(C)c1cc(Br)cn2cc(C(=O)N3CC[C@]4(Cc5ccccc5CN4)[C@H](O)C3)nc12
InChIInChI=1S/C24H27BrN4O3/c1-15(32-2)19-9-18(25)12-29-13-20(27-22(19)29)23(31)28-8-7-24(21(30)14-28)10-16-5-3-4-6-17(16)11-26-24/h3-6,9,12-13,15,21,26,30H,7-8,10-11,14H2,1-2H3/t15?,21-,24+/m1/s1
InChIKeyBKYDFZNALOOEAN-DFQZUVNZSA-N
XLogP3.10
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.41
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [6-bromo-8-(1-methoxyethyl)imidazo[1,2-a]pyridin-2-yl]-[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]methanone with MolForge

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Related Compounds

(3,4-dihydro-1H-isochromen-1-ylmethyl){[8-methyl-2-(piperidin-1-ylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}amine
CID 16191684
N-[2-[(4-bromophenyl)methoxy]ethyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 145962136
(3,4-dihydro-1H-isochromen-1-ylmethyl){[2-(morpholin-4-ylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}amine
CID 16190455
[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1-yl]-[8-(methoxymethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone
CID 156501843
[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]-[8-(methoxymethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone
CID 156501878
[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]-[8-[(1R)-1-methoxyethyl]-6-[2-methoxyethyl(methyl)amino]imidazo[1,2-a]pyridin-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 156501886
[(3R,3'R)-1'-[8-[(1R)-1-methoxyethyl]-6-[2-methoxyethyl(methyl)amino]imidazo[1,2-a]pyridine-2-carbonyl]spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-3'-yl] 2,2,2-trifluoroacetate
CID 156501888
[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]-[8-(1-methoxyethyl)-6-[2-methoxyethyl(methyl)amino]imidazo[1,2-a]pyridin-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 156501889
[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]-[6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]methanone
CID 156501936
[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]-[(6R,8S)-8-(methoxymethyl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone
CID 156501938
[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]-[8-(oxolan-3-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone
CID 156502001
[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]-[8-(methoxymethyl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone
CID 156502083

Frequently Asked Questions

What is the IUPAC name of [6-bromo-8-(1-methoxyethyl)imidazo[1,2-a]pyridin-2-yl]-[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]methanone?
The IUPAC name of [6-bromo-8-(1-methoxyethyl)imidazo[1,2-a]pyridin-2-yl]-[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]methanone (CID 156502657) is [6-bromo-8-(1-methoxyethyl)imidazo[1,2-a]pyridin-2-yl]-[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]methanone.
What is the SMILES notation for [6-bromo-8-(1-methoxyethyl)imidazo[1,2-a]pyridin-2-yl]-[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]methanone?
The canonical SMILES for [6-bromo-8-(1-methoxyethyl)imidazo[1,2-a]pyridin-2-yl]-[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]methanone is COC(C)c1cc(Br)cn2cc(C(=O)N3CC[C@]4(Cc5ccccc5CN4)[C@H](O)C3)nc12.
What is the InChIKey of [6-bromo-8-(1-methoxyethyl)imidazo[1,2-a]pyridin-2-yl]-[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]methanone?
The InChIKey is BKYDFZNALOOEAN-DFQZUVNZSA-N. The full InChI is InChI=1S/C24H27BrN4O3/c1-15(32-2)19-9-18(25)12-29-13-20(27-22(19)29)23(31)28-8-7-24(21(30)14-28)10-16-5-3-4-6-17(16)11-26-24/h3-6,9,12-13,15,21,26,30H,7-8,10-11,14H2,1-2H3/t15?,21-,24+/m1/s1.
What are the key properties of [6-bromo-8-(1-methoxyethyl)imidazo[1,2-a]pyridin-2-yl]-[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]methanone?
[6-bromo-8-(1-methoxyethyl)imidazo[1,2-a]pyridin-2-yl]-[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]methanone has a molecular weight of 499.41 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-8-(1-methoxyethyl)imidazo[1,2-a]pyridin-2-yl]-[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]methanone is sourced from PubChem (CID 156502657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).