1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperazin-1-yl)propan-1-one

C15H24BrN5O — CID 112536168

IUPAC1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(CCC(=O)N2CCc3nc(Br)n(C)c3C2)CC1
InChIInChI=1S/C15H24BrN5O/c1-18-7-9-20(10-8-18)5-4-14(22)21-6-3-12-13(11-21)19(2)15(16)17-12/h3-11H2,1-2H3
InChIKeyJXKZHXBKNVAXQZ-UHFFFAOYSA-N
MW370.30 g/mol
LogP0.70
Rot. Bonds3

About 1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperazin-1-yl)propan-1-one

1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 112536168) has the molecular formula C15H24BrN5O and a molecular weight of 370.30 g/mol. Its IUPAC name is 1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperazin-1-yl)propan-1-one
PubChem CID112536168
Molecular FormulaC15H24BrN5O
Molecular Weight370.30 g/mol
Exact Mass369.12
IUPAC Name1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(CCC(=O)N2CCc3nc(Br)n(C)c3C2)CC1
InChIInChI=1S/C15H24BrN5O/c1-18-7-9-20(10-8-18)5-4-14(22)21-6-3-12-13(11-21)19(2)15(16)17-12/h3-11H2,1-2H3
InChIKeyJXKZHXBKNVAXQZ-UHFFFAOYSA-N
XLogP0.70
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.30
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-morpholin-4-ylpropan-1-one
CID 112536171
1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-phenylethanone
CID 112536189
1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(2-methylphenyl)ethanone
CID 112536199
3-(1,3-benzodioxol-5-yl)-1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 112536240
1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(3-chlorophenyl)ethanone
CID 112536197
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 110852332
(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(4-ethoxyphenyl)methanone
CID 112536212
1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 175795051
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-1-ylpropan-1-one
CID 110688293
4-(azepan-1-yl)-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one
CID 92607989
1-(4-methylpiperazin-1-yl)-3-piperazin-1-ylpropan-1-one
CID 22120281
1-[3-(4-acetylpiperazin-1-yl)propanoyl]piperidin-4-one
CID 91564845

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperazin-1-yl)propan-1-one (CID 112536168) is 1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperazin-1-yl)propan-1-one is CN1CCN(CCC(=O)N2CCc3nc(Br)n(C)c3C2)CC1.
What is the InChIKey of 1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is JXKZHXBKNVAXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN5O/c1-18-7-9-20(10-8-18)5-4-14(22)21-6-3-12-13(11-21)19(2)15(16)17-12/h3-11H2,1-2H3.
What are the key properties of 1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperazin-1-yl)propan-1-one?
1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 370.30 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 112536168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).