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

C18H20BrN5 — CID 120768274

IUPAC6-bromo-8-methyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
SMILESCc1cc(Br)cn2c(CN3CCNCC3c3cccnc3)cnc12
InChIInChI=1S/C18H20BrN5/c1-13-7-15(19)11-24-16(9-22-18(13)24)12-23-6-5-21-10-17(23)14-3-2-4-20-8-14/h2-4,7-9,11,17,21H,5-6,10,12H2,1H3
InChIKeyCDWYDPNIWXNDCC-UHFFFAOYSA-N
MW386.30 g/mol
LogP2.95
Rot. Bonds3

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

6-bromo-8-methyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine (PubChem CID 120768274) has the molecular formula C18H20BrN5 and a molecular weight of 386.30 g/mol. Its IUPAC name is 6-bromo-8-methyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-8-methyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
PubChem CID120768274
Molecular FormulaC18H20BrN5
Molecular Weight386.30 g/mol
Exact Mass385.09
IUPAC Name6-bromo-8-methyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
SMILESCc1cc(Br)cn2c(CN3CCNCC3c3cccnc3)cnc12
InChIInChI=1S/C18H20BrN5/c1-13-7-15(19)11-24-16(9-22-18(13)24)12-23-6-5-21-10-17(23)14-3-2-4-20-8-14/h2-4,7-9,11,17,21H,5-6,10,12H2,1H3
InChIKeyCDWYDPNIWXNDCC-UHFFFAOYSA-N
XLogP2.95
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-bromo-8-methyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine with MolForge

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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-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 120911878
2-pyridin-3-yl-1-[(2,4,5-trimethylphenyl)methyl]piperazine
CID 120768364
1-[(4-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120755894
1-[(3-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768370
1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754734
1-[(2,4-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768082
1-[(5-fluoro-2-methylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120768241
1-[(2-ethylpyrazol-3-yl)methyl]-2-pyridin-3-ylpiperazine
CID 120767944
5-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;dihydrochloride
CID 120754848
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
1-[(2-bromophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120755094

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-methyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-8-methyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine (CID 120768274) is 6-bromo-8-methyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-8-methyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-8-methyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine is Cc1cc(Br)cn2c(CN3CCNCC3c3cccnc3)cnc12.
What is the InChIKey of 6-bromo-8-methyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine?
The InChIKey is CDWYDPNIWXNDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN5/c1-13-7-15(19)11-24-16(9-22-18(13)24)12-23-6-5-21-10-17(23)14-3-2-4-20-8-14/h2-4,7-9,11,17,21H,5-6,10,12H2,1H3.
What are the key properties of 6-bromo-8-methyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine?
6-bromo-8-methyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine has a molecular weight of 386.30 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-methyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 120768274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).