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

C21H22BrFN4O — CID 112770952

IUPAC(5-bromo-2-fluorophenyl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone
SMILESCc1ccn2c(CN3CCN(C(=O)c4cc(Br)ccc4F)CC3)c(C)nc2c1
InChIInChI=1S/C21H22BrFN4O/c1-14-5-6-27-19(15(2)24-20(27)11-14)13-25-7-9-26(10-8-25)21(28)17-12-16(22)3-4-18(17)23/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyXBYSSZPSNPOWCQ-UHFFFAOYSA-N
MW445.34 g/mol
LogP3.81
Rot. Bonds3

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

(5-bromo-2-fluorophenyl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone (PubChem CID 112770952) has the molecular formula C21H22BrFN4O and a molecular weight of 445.34 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone
PubChem CID112770952
Molecular FormulaC21H22BrFN4O
Molecular Weight445.34 g/mol
Exact Mass444.10
IUPAC Name(5-bromo-2-fluorophenyl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone
SMILESCc1ccn2c(CN3CCN(C(=O)c4cc(Br)ccc4F)CC3)c(C)nc2c1
InChIInChI=1S/C21H22BrFN4O/c1-14-5-6-27-19(15(2)24-20(27)11-14)13-25-7-9-26(10-8-25)21(28)17-12-16(22)3-4-18(17)23/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyXBYSSZPSNPOWCQ-UHFFFAOYSA-N
XLogP3.81
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.34
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-bromofuran-2-yl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone
CID 112770870
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 112808205
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(5-methyl-2-pyrrolidin-1-ylphenyl)methanone
CID 75421319
[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]-[1-(4-fluorophenyl)pyrazol-3-yl]methanone
CID 112822053
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone
CID 112770934
[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]-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanone
CID 112822593
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]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 112771925
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-bromo-2-fluorophenyl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (5-bromo-2-fluorophenyl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone (CID 112770952) is (5-bromo-2-fluorophenyl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-bromo-2-fluorophenyl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone is Cc1ccn2c(CN3CCN(C(=O)c4cc(Br)ccc4F)CC3)c(C)nc2c1.
What is the InChIKey of (5-bromo-2-fluorophenyl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is XBYSSZPSNPOWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrFN4O/c1-14-5-6-27-19(15(2)24-20(27)11-14)13-25-7-9-26(10-8-25)21(28)17-12-16(22)3-4-18(17)23/h3-6,11-12H,7-10,13H2,1-2H3.
What are the key properties of (5-bromo-2-fluorophenyl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone?
(5-bromo-2-fluorophenyl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 445.34 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 112770952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).