6-bromo-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine;1,3-dimethyl-5-[3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one

C33H40BrN7O — CID 157210439

IUPAC6-bromo-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine;1,3-dimethyl-5-[3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one
SMILESBrc1ccc2ncc(CN3CCCCC3)n2c1.Cc1cc(-c2ccc3ncc(CN4CCCCC4)n3c2)cn(C)c1=O
InChIInChI=1S/C20H24N4O.C13H16BrN3/c1-15-10-17(12-22(2)20(15)25)16-6-7-19-21-11-18(24(19)13-16)14-23-8-4-3-5-9-23;14-11-4-5-13-15-8-12(17(13)9-11)10-16-6-2-1-3-7-16/h6-7,10-13H,3-5,8-9,14H2,1-2H3;4-5,8-9H,1-3,6-7,10H2
InChIKeyARVGCEVWEZTDDP-UHFFFAOYSA-N
MW630.64 g/mol
LogP6.08
Rot. Bonds5

About 6-bromo-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine;1,3-dimethyl-5-[3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one

6-bromo-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine;1,3-dimethyl-5-[3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one (PubChem CID 157210439) has the molecular formula C33H40BrN7O and a molecular weight of 630.64 g/mol. Its IUPAC name is 6-bromo-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine;1,3-dimethyl-5-[3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one.

Molecular Properties

Compound Name6-bromo-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine;1,3-dimethyl-5-[3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one
PubChem CID157210439
Molecular FormulaC33H40BrN7O
Molecular Weight630.64 g/mol
Exact Mass629.25
IUPAC Name6-bromo-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine;1,3-dimethyl-5-[3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one
SMILESBrc1ccc2ncc(CN3CCCCC3)n2c1.Cc1cc(-c2ccc3ncc(CN4CCCCC4)n3c2)cn(C)c1=O
InChIInChI=1S/C20H24N4O.C13H16BrN3/c1-15-10-17(12-22(2)20(15)25)16-6-7-19-21-11-18(24(19)13-16)14-23-8-4-3-5-9-23;14-11-4-5-13-15-8-12(17(13)9-11)10-16-6-2-1-3-7-16/h6-7,10-13H,3-5,8-9,14H2,1-2H3;4-5,8-9H,1-3,6-7,10H2
InChIKeyARVGCEVWEZTDDP-UHFFFAOYSA-N
XLogP6.08
TPSA63.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.64
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-bromo-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine;1,3-dimethyl-5-[3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one with MolForge

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Related Compounds

Imidazopyridine 18d
CID 5329354
[4-[[2-(4-Bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 129216564
5-(1-Benzyl-6-imidazol-1-ylimidazo[4,5-c]pyridin-2-yl)-1,3-dimethylpyridin-2-one
CID 117891963
5-[1-Benzyl-6-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-1,3-dimethylpyridin-2-one
CID 117891966
5-[1-Benzyl-6-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-1-ethyl-3-methylpyridin-2-one
CID 117891968
5-[3-Benzyl-6-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridin-2-yl]-1,3-dimethylpyridin-2-one
CID 117892019
[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 139344532
1H-Imidazo(1,2-a)pyridin-4-ium, 1,1'-hexamethylenebis(2-(p-bromophenyl)-, dibromide
CID 15588595
(3E)-3-[(1-methyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)methylidene]-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]pyrrolidin-2-one
CID 162644454
7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one
CID 89741003
US10759794, Example 1
CID 129216503
US10759794, Example 9
CID 129225874

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine;1,3-dimethyl-5-[3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one?
The IUPAC name of 6-bromo-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine;1,3-dimethyl-5-[3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one (CID 157210439) is 6-bromo-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine;1,3-dimethyl-5-[3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one.
What is the SMILES notation for 6-bromo-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine;1,3-dimethyl-5-[3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one?
The canonical SMILES for 6-bromo-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine;1,3-dimethyl-5-[3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one is Brc1ccc2ncc(CN3CCCCC3)n2c1.Cc1cc(-c2ccc3ncc(CN4CCCCC4)n3c2)cn(C)c1=O.
What is the InChIKey of 6-bromo-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine;1,3-dimethyl-5-[3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one?
The InChIKey is ARVGCEVWEZTDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O.C13H16BrN3/c1-15-10-17(12-22(2)20(15)25)16-6-7-19-21-11-18(24(19)13-16)14-23-8-4-3-5-9-23;14-11-4-5-13-15-8-12(17(13)9-11)10-16-6-2-1-3-7-16/h6-7,10-13H,3-5,8-9,14H2,1-2H3;4-5,8-9H,1-3,6-7,10H2.
What are the key properties of 6-bromo-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine;1,3-dimethyl-5-[3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one?
6-bromo-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine;1,3-dimethyl-5-[3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one has a molecular weight of 630.64 g/mol, XLogP of 6.08, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine;1,3-dimethyl-5-[3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one is sourced from PubChem (CID 157210439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).