6-bromo-8-methyl-3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine

C17H21BrN6 — CID 120911878

IUPAC6-bromo-8-methyl-3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESCc1cc(Br)cn2c(CN3CCNCC3c3nccn3C)cnc12
InChIInChI=1S/C17H21BrN6/c1-12-7-13(18)10-24-14(8-21-16(12)24)11-23-6-3-19-9-15(23)17-20-4-5-22(17)2/h4-5,7-8,10,15,19H,3,6,9,11H2,1-2H3
InChIKeyDPFBJIUMGOFRDJ-UHFFFAOYSA-N
MW389.30 g/mol
LogP2.29
Rot. Bonds3

About 6-bromo-8-methyl-3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine

6-bromo-8-methyl-3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine (PubChem CID 120911878) has the molecular formula C17H21BrN6 and a molecular weight of 389.30 g/mol. Its IUPAC name is 6-bromo-8-methyl-3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-8-methyl-3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
PubChem CID120911878
Molecular FormulaC17H21BrN6
Molecular Weight389.30 g/mol
Exact Mass388.10
IUPAC Name6-bromo-8-methyl-3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESCc1cc(Br)cn2c(CN3CCNCC3c3nccn3C)cnc12
InChIInChI=1S/C17H21BrN6/c1-12-7-13(18)10-24-14(8-21-16(12)24)11-23-6-3-19-9-15(23)17-20-4-5-22(17)2/h4-5,7-8,10,15,19H,3,6,9,11H2,1-2H3
InChIKeyDPFBJIUMGOFRDJ-UHFFFAOYSA-N
XLogP2.29
TPSA50.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-bromo-8-methyl-3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine;hydrochloride
CID 120910158
6-bromo-8-methyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 120768274
1-[(5-bromo-2-chlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120871243
2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120911940
1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120911748
5-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;dihydrochloride
CID 120870642
1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912485
1-[(3,5-dimethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120911740
2-(1-methylimidazol-2-yl)-1-prop-2-enylpiperazine
CID 120869704
1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
2-(1-methylimidazol-2-yl)-1-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 120912116
1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120911966

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-methyl-3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-8-methyl-3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine (CID 120911878) is 6-bromo-8-methyl-3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-8-methyl-3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-8-methyl-3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine is Cc1cc(Br)cn2c(CN3CCNCC3c3nccn3C)cnc12.
What is the InChIKey of 6-bromo-8-methyl-3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
The InChIKey is DPFBJIUMGOFRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN6/c1-12-7-13(18)10-24-14(8-21-16(12)24)11-23-6-3-19-9-15(23)17-20-4-5-22(17)2/h4-5,7-8,10,15,19H,3,6,9,11H2,1-2H3.
What are the key properties of 6-bromo-8-methyl-3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
6-bromo-8-methyl-3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine has a molecular weight of 389.30 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-methyl-3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 120911878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).