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

C17H24BrN5 — CID 120968560

IUPAC6-bromo-8-methyl-3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine
SMILESCc1cc(Br)cn2c(CN3CCC(N4CCNCC4)C3)cnc12
InChIInChI=1S/C17H24BrN5/c1-13-8-14(18)10-23-16(9-20-17(13)23)12-21-5-2-15(11-21)22-6-3-19-4-7-22/h8-10,15,19H,2-7,11-12H2,1H3
InChIKeyXXICPRNPMHAUKL-UHFFFAOYSA-N
MW378.32 g/mol
LogP1.88
Rot. Bonds3

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

6-bromo-8-methyl-3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine (PubChem CID 120968560) has the molecular formula C17H24BrN5 and a molecular weight of 378.32 g/mol. Its IUPAC name is 6-bromo-8-methyl-3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-8-methyl-3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine
PubChem CID120968560
Molecular FormulaC17H24BrN5
Molecular Weight378.32 g/mol
Exact Mass377.12
IUPAC Name6-bromo-8-methyl-3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine
SMILESCc1cc(Br)cn2c(CN3CCC(N4CCNCC4)C3)cnc12
InChIInChI=1S/C17H24BrN5/c1-13-8-14(18)10-23-16(9-20-17(13)23)12-21-5-2-15(11-21)22-6-3-19-4-7-22/h8-10,15,19H,2-7,11-12H2,1H3
InChIKeyXXICPRNPMHAUKL-UHFFFAOYSA-N
XLogP1.88
TPSA35.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(6-bromo-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidine-3-carboxylic acid
CID 122040821
1-[1-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120967486
1-[1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120968136
1-[1-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967485
1,3-dimethyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]pyrazolo[5,4-b]pyridine
CID 120967699
6-bromo-8-methyl-3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 120911878
6-bromo-3-ethyl-8-methylimidazo[1,2-a]pyridine
CID 83170189
6-bromo-8-methyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 120768274
2-methyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120967694
6-bromo-3-[[(3S)-3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 98260186
1-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]piperazine
CID 120968440
(3aS,6aR)-2-[(6-bromo-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122045000

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-methyl-3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-8-methyl-3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine (CID 120968560) is 6-bromo-8-methyl-3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-8-methyl-3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-8-methyl-3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine is Cc1cc(Br)cn2c(CN3CCC(N4CCNCC4)C3)cnc12.
What is the InChIKey of 6-bromo-8-methyl-3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine?
The InChIKey is XXICPRNPMHAUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN5/c1-13-8-14(18)10-23-16(9-20-17(13)23)12-21-5-2-15(11-21)22-6-3-19-4-7-22/h8-10,15,19H,2-7,11-12H2,1H3.
What are the key properties of 6-bromo-8-methyl-3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine?
6-bromo-8-methyl-3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine has a molecular weight of 378.32 g/mol, XLogP of 1.88, 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-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 120968560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).