(5-bromofuran-2-yl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone

C19H21BrN4O2 — CID 112770870

IUPAC(5-bromofuran-2-yl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone
SMILESCc1ccn2c(CN3CCN(C(=O)c4ccc(Br)o4)CC3)c(C)nc2c1
InChIInChI=1S/C19H21BrN4O2/c1-13-5-6-24-15(14(2)21-18(24)11-13)12-22-7-9-23(10-8-22)19(25)16-3-4-17(20)26-16/h3-6,11H,7-10,12H2,1-2H3
InChIKeyOKHHXSCNWBBOBB-UHFFFAOYSA-N
MW417.31 g/mol
LogP3.26
Rot. Bonds3

About (5-bromofuran-2-yl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone

(5-bromofuran-2-yl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone (PubChem CID 112770870) has the molecular formula C19H21BrN4O2 and a molecular weight of 417.31 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone
PubChem CID112770870
Molecular FormulaC19H21BrN4O2
Molecular Weight417.31 g/mol
Exact Mass416.08
IUPAC Name(5-bromofuran-2-yl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone
SMILESCc1ccn2c(CN3CCN(C(=O)c4ccc(Br)o4)CC3)c(C)nc2c1
InChIInChI=1S/C19H21BrN4O2/c1-13-5-6-24-15(14(2)21-18(24)11-13)12-22-7-9-23(10-8-22)19(25)16-3-4-17(20)26-16/h3-6,11H,7-10,12H2,1-2H3
InChIKeyOKHHXSCNWBBOBB-UHFFFAOYSA-N
XLogP3.26
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.31
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenyl)-1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]ethanone
CID 112770886
(5-bromo-2-fluorophenyl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone
CID 112770952
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 112770860
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(5-methyl-2-pyrrolidin-1-ylphenyl)methanone
CID 75421319
1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 112770917
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 112771925
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone
CID 112770934
1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one
CID 112806577
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[1-(4-fluorophenyl)pyrazol-3-yl]methanone
CID 112822053
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 112808087
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 112808205
azepan-1-yl-[7-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 56877917

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (5-bromofuran-2-yl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone (CID 112770870) is (5-bromofuran-2-yl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-bromofuran-2-yl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone is Cc1ccn2c(CN3CCN(C(=O)c4ccc(Br)o4)CC3)c(C)nc2c1.
What is the InChIKey of (5-bromofuran-2-yl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is OKHHXSCNWBBOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN4O2/c1-13-5-6-24-15(14(2)21-18(24)11-13)12-22-7-9-23(10-8-22)19(25)16-3-4-17(20)26-16/h3-6,11H,7-10,12H2,1-2H3.
What are the key properties of (5-bromofuran-2-yl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone?
(5-bromofuran-2-yl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 417.31 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 112770870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).