(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)-[(3S,4S)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]methanone

C22H22Br2N4O2 — CID 156502940

IUPAC(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)-[(3S,4S)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]methanone
SMILESO=C(c1cn2cc(Br)cc(Br)c2n1)N1CC[C@H](N2CCc3ccccc3C2)[C@@H](O)C1
InChIInChI=1S/C22H22Br2N4O2/c23-16-9-17(24)21-25-18(12-28(21)11-16)22(30)27-8-6-19(20(29)13-27)26-7-5-14-3-1-2-4-15(14)10-26/h1-4,9,11-12,19-20,29H,5-8,10,13H2/t19-,20-/m0/s1
InChIKeyOMWIIOJQXNQADL-PMACEKPBSA-N
MW534.25 g/mol
LogP3.49
Rot. Bonds2

About (6,8-dibromoimidazo[1,2-a]pyridin-2-yl)-[(3S,4S)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]methanone

(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)-[(3S,4S)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]methanone (PubChem CID 156502940) has the molecular formula C22H22Br2N4O2 and a molecular weight of 534.25 g/mol. Its IUPAC name is (6,8-dibromoimidazo[1,2-a]pyridin-2-yl)-[(3S,4S)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)-[(3S,4S)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]methanone
PubChem CID156502940
Molecular FormulaC22H22Br2N4O2
Molecular Weight534.25 g/mol
Exact Mass532.01
IUPAC Name(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)-[(3S,4S)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]methanone
SMILESO=C(c1cn2cc(Br)cc(Br)c2n1)N1CC[C@H](N2CCc3ccccc3C2)[C@@H](O)C1
InChIInChI=1S/C22H22Br2N4O2/c23-16-9-17(24)21-25-18(12-28(21)11-16)22(30)27-8-6-19(20(29)13-27)26-7-5-14-3-1-2-4-15(14)10-26/h1-4,9,11-12,19-20,29H,5-8,10,13H2/t19-,20-/m0/s1
InChIKeyOMWIIOJQXNQADL-PMACEKPBSA-N
XLogP3.49
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.25
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6,8-dibromoimidazo[1,2-a]pyridin-2-yl)-[(3S,4S)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]methanone with MolForge

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Related Compounds

(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
(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
(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
[(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
[(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
[(3S,4S)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]-(6-methylimidazo[1,2-a]pyrimidin-2-yl)methanone
CID 156517668
[(3S,4S)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]-[6-[(3S)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]pyrimidin-4-yl]methanone
CID 163741347
(6-bromo-3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[(3S,4S)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]methanone
CID 156518078
1-[4-[[6-[(3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidine-1-carbonyl]-2-methylpyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
CID 177373432
[(3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]-(1H-indazol-5-yl)methanone
CID 176799648
1,3-benzothiazol-5-yl-[(3S,4S)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]methanone
CID 176799678
1-[4-[6-[(3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidine-1-carbonyl]pyrimidin-4-yl]oxypiperidin-1-yl]ethanone
CID 166070864

Frequently Asked Questions

What is the IUPAC name of (6,8-dibromoimidazo[1,2-a]pyridin-2-yl)-[(3S,4S)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]methanone?
The IUPAC name of (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) is (6,8-dibromoimidazo[1,2-a]pyridin-2-yl)-[(3S,4S)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for (6,8-dibromoimidazo[1,2-a]pyridin-2-yl)-[(3S,4S)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for (6,8-dibromoimidazo[1,2-a]pyridin-2-yl)-[(3S,4S)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]methanone is O=C(c1cn2cc(Br)cc(Br)c2n1)N1CC[C@H](N2CCc3ccccc3C2)[C@@H](O)C1.
What is the InChIKey of (6,8-dibromoimidazo[1,2-a]pyridin-2-yl)-[(3S,4S)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]methanone?
The InChIKey is OMWIIOJQXNQADL-PMACEKPBSA-N. The full InChI is InChI=1S/C22H22Br2N4O2/c23-16-9-17(24)21-25-18(12-28(21)11-16)22(30)27-8-6-19(20(29)13-27)26-7-5-14-3-1-2-4-15(14)10-26/h1-4,9,11-12,19-20,29H,5-8,10,13H2/t19-,20-/m0/s1.
What are the key properties of (6,8-dibromoimidazo[1,2-a]pyridin-2-yl)-[(3S,4S)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]methanone?
(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)-[(3S,4S)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]methanone has a molecular weight of 534.25 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6,8-dibromoimidazo[1,2-a]pyridin-2-yl)-[(3S,4S)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 156502940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).