8-bromo-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine

C13H17BrN4 — CID 117256804

IUPAC8-bromo-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
SMILESCN1CCN(Cc2cnc3c(Br)cccn23)CC1
InChIInChI=1S/C13H17BrN4/c1-16-5-7-17(8-6-16)10-11-9-15-13-12(14)3-2-4-18(11)13/h2-4,9H,5-8,10H2,1H3
InChIKeyYWJNIOIKMQNDJW-UHFFFAOYSA-N
MW309.21 g/mol
LogP1.84
Rot. Bonds2

About 8-bromo-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine

8-bromo-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine (PubChem CID 117256804) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is 8-bromo-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-bromo-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
PubChem CID117256804
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC Name8-bromo-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
SMILESCN1CCN(Cc2cnc3c(Br)cccn23)CC1
InChIInChI=1S/C13H17BrN4/c1-16-5-7-17(8-6-16)10-11-9-15-13-12(14)3-2-4-18(11)13/h2-4,9H,5-8,10H2,1H3
InChIKeyYWJNIOIKMQNDJW-UHFFFAOYSA-N
XLogP1.84
TPSA23.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(8-chloroimidazo[1,2-a]pyridin-3-yl)methyl]morpholine
CID 117256800
3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid
CID 117256876
methyl 3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117256875
methyl 3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117256877
1-(8-bromoimidazo[1,2-a]pyridin-3-yl)ethanone;(8-bromoimidazo[1,2-a]pyridin-3-yl)methanol
CID 164947783
8-bromo-3-(2-methyl-2-nitropropyl)imidazo[1,2-a]pyridine
CID 22038560
8-bromoimidazo[1,2-a]pyridin-3-ol
CID 105466458
1-[(5-bromofuran-2-yl)methyl]-4-methylpiperazine
CID 2838208
1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperazine
CID 23438151
1-[(3-benzyl-2-methylimidazol-4-yl)methyl]-4-methylpiperazine
CID 18685205
3-bromo-8-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 146596485
1-[(4-bromo-1-benzofuran-2-yl)methyl]-4-methylpiperazine
CID 117172246

Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 8-bromo-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine (CID 117256804) is 8-bromo-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 8-bromo-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 8-bromo-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine is CN1CCN(Cc2cnc3c(Br)cccn23)CC1.
What is the InChIKey of 8-bromo-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine?
The InChIKey is YWJNIOIKMQNDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c1-16-5-7-17(8-6-16)10-11-9-15-13-12(14)3-2-4-18(11)13/h2-4,9H,5-8,10H2,1H3.
What are the key properties of 8-bromo-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine?
8-bromo-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine has a molecular weight of 309.21 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 117256804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).