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

C14H21BrN4O2 — CID 112536171

IUPAC1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-morpholin-4-ylpropan-1-one
SMILESCn1c(Br)nc2c1CN(C(=O)CCN1CCOCC1)CC2
InChIInChI=1S/C14H21BrN4O2/c1-17-12-10-19(5-2-11(12)16-14(17)15)13(20)3-4-18-6-8-21-9-7-18/h2-10H2,1H3
InChIKeyMGKOBVDIZRHARC-UHFFFAOYSA-N
MW357.25 g/mol
LogP0.79
Rot. Bonds3

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

1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-morpholin-4-ylpropan-1-one (PubChem CID 112536171) has the molecular formula C14H21BrN4O2 and a molecular weight of 357.25 g/mol. Its IUPAC name is 1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-morpholin-4-ylpropan-1-one
PubChem CID112536171
Molecular FormulaC14H21BrN4O2
Molecular Weight357.25 g/mol
Exact Mass356.08
IUPAC Name1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-morpholin-4-ylpropan-1-one
SMILESCn1c(Br)nc2c1CN(C(=O)CCN1CCOCC1)CC2
InChIInChI=1S/C14H21BrN4O2/c1-17-12-10-19(5-2-11(12)16-14(17)15)13(20)3-4-18-6-8-21-9-7-18/h2-10H2,1H3
InChIKeyMGKOBVDIZRHARC-UHFFFAOYSA-N
XLogP0.79
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 50.79
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-(4-methylpiperazin-1-yl)propan-1-one
CID 112536168
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-(2-methylphenyl)ethanone
CID 112536199
1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(3-chlorophenyl)ethanone
CID 112536197
1-(3-morpholin-4-ylpropanoyl)piperidin-3-one
CID 112536098
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-morpholin-4-ylpropan-1-one
CID 110688426
1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(3-methoxyphenyl)ethanone
CID 112536196
(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(4-fluorophenyl)methanone
CID 112536176
3-morpholin-4-yl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 71318447
1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 175795051
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110688472
1-morpholin-4-yl-3-piperazin-1-ylpropan-1-one;dihydrochloride
CID 53415361

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-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-morpholin-4-ylpropan-1-one (CID 112536171) is 1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-morpholin-4-ylpropan-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-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-morpholin-4-ylpropan-1-one is Cn1c(Br)nc2c1CN(C(=O)CCN1CCOCC1)CC2.
What is the InChIKey of 1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-morpholin-4-ylpropan-1-one?
The InChIKey is MGKOBVDIZRHARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4O2/c1-17-12-10-19(5-2-11(12)16-14(17)15)13(20)3-4-18-6-8-21-9-7-18/h2-10H2,1H3.
What are the key properties of 1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-morpholin-4-ylpropan-1-one?
1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-morpholin-4-ylpropan-1-one has a molecular weight of 357.25 g/mol, XLogP of 0.79, 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-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 112536171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).