[6-bromo-8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone

C23H25BrN4O2 — CID 156793291

IUPAC[6-bromo-8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone
SMILESCC(O)c1cc(Br)cn2cc(C(=O)N3CCC4(CC3)Cc3ccccc3CN4)nc12
InChIInChI=1S/C23H25BrN4O2/c1-15(29)19-10-18(24)13-28-14-20(26-21(19)28)22(30)27-8-6-23(7-9-27)11-16-4-2-3-5-17(16)12-25-23/h2-5,10,13-15,25,29H,6-9,11-12H2,1H3
InChIKeyYGJHENUSPBBBCV-UHFFFAOYSA-N
MW469.38 g/mol
LogP3.47
Rot. Bonds2

About [6-bromo-8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone

[6-bromo-8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone (PubChem CID 156793291) has the molecular formula C23H25BrN4O2 and a molecular weight of 469.38 g/mol. Its IUPAC name is [6-bromo-8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name[6-bromo-8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone
PubChem CID156793291
Molecular FormulaC23H25BrN4O2
Molecular Weight469.38 g/mol
Exact Mass468.12
IUPAC Name[6-bromo-8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone
SMILESCC(O)c1cc(Br)cn2cc(C(=O)N3CCC4(CC3)Cc3ccccc3CN4)nc12
InChIInChI=1S/C23H25BrN4O2/c1-15(29)19-10-18(24)13-28-14-20(26-21(19)28)22(30)27-8-6-23(7-9-27)11-16-4-2-3-5-17(16)12-25-23/h2-5,10,13-15,25,29H,6-9,11-12H2,1H3
InChIKeyYGJHENUSPBBBCV-UHFFFAOYSA-N
XLogP3.47
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.38
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(1-methoxyethyl)-8-methylimidazo[1,2-a]pyridin-2-yl]-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone
CID 156532862
[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
[6-bromo-8-(2,2,2-trifluoro-1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]-[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]methanone
CID 156793499
(2-amino-4-pyridinyl)-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone
CID 156532889
(Z)-2-amino-3-(5-bromopyrimidin-2-yl)-1-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylbut-2-en-1-one
CID 156793460
(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
(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-(2,2-difluorocyclopropyl)imidazo[1,2-a]pyrimidin-2-yl]-[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]methanone
CID 156533089
[(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
[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]-pyridin-2-ylmethanone
CID 175986834
[(3S,4S)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]-[8-[(1R)-1-methoxyethyl]-6-propan-2-ylimidazo[1,2-a]pyridin-2-yl]methanone
CID 156518085
(8-methylimidazo[1,2-a]pyridin-2-yl)-piperazin-1-ylmethanone
CID 39162238

Frequently Asked Questions

What is the IUPAC name of [6-bromo-8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone?
The IUPAC name of [6-bromo-8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone (CID 156793291) is [6-bromo-8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for [6-bromo-8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for [6-bromo-8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone is CC(O)c1cc(Br)cn2cc(C(=O)N3CCC4(CC3)Cc3ccccc3CN4)nc12.
What is the InChIKey of [6-bromo-8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone?
The InChIKey is YGJHENUSPBBBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN4O2/c1-15(29)19-10-18(24)13-28-14-20(26-21(19)28)22(30)27-8-6-23(7-9-27)11-16-4-2-3-5-17(16)12-25-23/h2-5,10,13-15,25,29H,6-9,11-12H2,1H3.
What are the key properties of [6-bromo-8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone?
[6-bromo-8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone has a molecular weight of 469.38 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 156793291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).