[4-[[6-bromo-2-(3-methoxyphenyl)-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone

C24H29BrN4O2 — CID 144748049

IUPAC[4-[[6-bromo-2-(3-methoxyphenyl)-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone
SMILESCOc1cccc(-c2nc3n(c2CN2CCN(C(=O)C4CCC4)CC2)C=C(Br)CC3)c1
InChIInChI=1S/C24H29BrN4O2/c1-31-20-7-3-6-18(14-20)23-21(29-15-19(25)8-9-22(29)26-23)16-27-10-12-28(13-11-27)24(30)17-4-2-5-17/h3,6-7,14-15,17H,2,4-5,8-13,16H2,1H3
InChIKeyOFNPXBPRMBXORO-UHFFFAOYSA-N
MW485.43 g/mol
LogP4.14
Rot. Bonds5

About [4-[[6-bromo-2-(3-methoxyphenyl)-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone

[4-[[6-bromo-2-(3-methoxyphenyl)-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone (PubChem CID 144748049) has the molecular formula C24H29BrN4O2 and a molecular weight of 485.43 g/mol. Its IUPAC name is [4-[[6-bromo-2-(3-methoxyphenyl)-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[4-[[6-bromo-2-(3-methoxyphenyl)-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone
PubChem CID144748049
Molecular FormulaC24H29BrN4O2
Molecular Weight485.43 g/mol
Exact Mass484.15
IUPAC Name[4-[[6-bromo-2-(3-methoxyphenyl)-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone
SMILESCOc1cccc(-c2nc3n(c2CN2CCN(C(=O)C4CCC4)CC2)C=C(Br)CC3)c1
InChIInChI=1S/C24H29BrN4O2/c1-31-20-7-3-6-18(14-20)23-21(29-15-19(25)8-9-22(29)26-23)16-27-10-12-28(13-11-27)24(30)17-4-2-5-17/h3,6-7,14-15,17H,2,4-5,8-13,16H2,1H3
InChIKeyOFNPXBPRMBXORO-UHFFFAOYSA-N
XLogP4.14
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.43
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[[6-bromo-2-(3-methoxyphenyl)-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone with MolForge

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Related Compounds

2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzamide
CID 121309737
cyclopropyl-[4-[[2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]piperazin-1-yl]methanone
CID 42811179
cyclopentyl-[4-[2-[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]ethyl]piperazin-1-yl]methanone
CID 144747975
(4-ethylpiperazin-1-yl)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone
CID 795804
cyclohexyl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398878
cyclobutyl-[4-[[6-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83285824
cyclobutyl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;cyclopentyl-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;(4-methoxyphenyl)-[4-[[2-(4-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 158308546
[2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methanol
CID 116854069
cyclobutyl-[4-[(2R)-2-(3-methoxyphenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone
CID 97206838
cyclobutyl-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95809673
1-[4-[[6-(3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]hexan-1-one
CID 42803276
cyclopentyl-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95819187

Frequently Asked Questions

What is the IUPAC name of [4-[[6-bromo-2-(3-methoxyphenyl)-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone?
The IUPAC name of [4-[[6-bromo-2-(3-methoxyphenyl)-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone (CID 144748049) is [4-[[6-bromo-2-(3-methoxyphenyl)-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone.
What is the SMILES notation for [4-[[6-bromo-2-(3-methoxyphenyl)-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone?
The canonical SMILES for [4-[[6-bromo-2-(3-methoxyphenyl)-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone is COc1cccc(-c2nc3n(c2CN2CCN(C(=O)C4CCC4)CC2)C=C(Br)CC3)c1.
What is the InChIKey of [4-[[6-bromo-2-(3-methoxyphenyl)-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone?
The InChIKey is OFNPXBPRMBXORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BrN4O2/c1-31-20-7-3-6-18(14-20)23-21(29-15-19(25)8-9-22(29)26-23)16-27-10-12-28(13-11-27)24(30)17-4-2-5-17/h3,6-7,14-15,17H,2,4-5,8-13,16H2,1H3.
What are the key properties of [4-[[6-bromo-2-(3-methoxyphenyl)-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone?
[4-[[6-bromo-2-(3-methoxyphenyl)-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone has a molecular weight of 485.43 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[6-bromo-2-(3-methoxyphenyl)-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone is sourced from PubChem (CID 144748049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).