2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]morpholine

C12H15BrN4O — CID 178046873

IUPAC2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]morpholine
SMILESCc1nc2ncc(Br)cc2n1CC1CNCCO1
InChIInChI=1S/C12H15BrN4O/c1-8-16-12-11(4-9(13)5-15-12)17(8)7-10-6-14-2-3-18-10/h4-5,10,14H,2-3,6-7H2,1H3
InChIKeyBTWJFZGHLNWDPV-UHFFFAOYSA-N
MW311.18 g/mol
LogP1.49
Rot. Bonds2

About 2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]morpholine

2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]morpholine (PubChem CID 178046873) has the molecular formula C12H15BrN4O and a molecular weight of 311.18 g/mol. Its IUPAC name is 2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]morpholine.

Molecular Properties

Compound Name2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]morpholine
PubChem CID178046873
Molecular FormulaC12H15BrN4O
Molecular Weight311.18 g/mol
Exact Mass310.04
IUPAC Name2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]morpholine
SMILESCc1nc2ncc(Br)cc2n1CC1CNCCO1
InChIInChI=1S/C12H15BrN4O/c1-8-16-12-11(4-9(13)5-15-12)17(8)7-10-6-14-2-3-18-10/h4-5,10,14H,2-3,6-7H2,1H3
InChIKeyBTWJFZGHLNWDPV-UHFFFAOYSA-N
XLogP1.49
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-2-methyl-1-[[(3R)-piperidin-3-yl]methyl]imidazo[4,5-b]pyridine
CID 178046830
6-bromo-2-(chloromethyl)-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine
CID 164601856
2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]morpholine
CID 114469199
2-[[2-(4-bromo-2-chloro-6-fluorophenyl)-6-fluoro-5-methylbenzimidazol-1-yl]methyl]morpholine
CID 162729033
7-bromo-2-(morpholin-2-ylmethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 116990670
2-[(5-bromo-1-cyclopropylbenzimidazol-2-yl)methyl]morpholine
CID 66422945
2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 140664960
2-[(1,5-dimethylbenzimidazol-2-yl)methyl]morpholine
CID 66420976
ethyl 5-bromo-2-methyl-1-(morpholin-2-ylmethyl)pyrrole-3-carboxylate
CID 168952545
1-(5-bromopyrimidin-2-yl)-N-(morpholin-2-ylmethoxy)azetidin-3-imine
CID 126562186
2-[[3-(5-bromo-2-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine
CID 141220264
5-methyl-2-(morpholin-2-ylmethyl)-1,3-benzoxazole
CID 66434043

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]morpholine?
The IUPAC name of 2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]morpholine (CID 178046873) is 2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]morpholine.
What is the SMILES notation for 2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]morpholine?
The canonical SMILES for 2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]morpholine is Cc1nc2ncc(Br)cc2n1CC1CNCCO1.
What is the InChIKey of 2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]morpholine?
The InChIKey is BTWJFZGHLNWDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O/c1-8-16-12-11(4-9(13)5-15-12)17(8)7-10-6-14-2-3-18-10/h4-5,10,14H,2-3,6-7H2,1H3.
What are the key properties of 2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]morpholine?
2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]morpholine has a molecular weight of 311.18 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]morpholine is sourced from PubChem (CID 178046873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).