N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine

C13H17BrN4O — CID 56793498

IUPACN-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine
SMILESCN(Cc1nc2ncc(Br)cc2[nH]1)CC1CCCO1
InChIInChI=1S/C13H17BrN4O/c1-18(7-10-3-2-4-19-10)8-12-16-11-5-9(14)6-15-13(11)17-12/h5-6,10H,2-4,7-8H2,1H3,(H,15,16,17)
InChIKeyCIBBFKOETCUGBN-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.33
Rot. Bonds4

About N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine

N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine (PubChem CID 56793498) has the molecular formula C13H17BrN4O and a molecular weight of 325.21 g/mol. Its IUPAC name is N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine
PubChem CID56793498
Molecular FormulaC13H17BrN4O
Molecular Weight325.21 g/mol
Exact Mass324.06
IUPAC NameN-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine
SMILESCN(Cc1nc2ncc(Br)cc2[nH]1)CC1CCCO1
InChIInChI=1S/C13H17BrN4O/c1-18(7-10-3-2-4-19-10)8-12-16-11-5-9(14)6-15-13(11)17-12/h5-6,10H,2-4,7-8H2,1H3,(H,15,16,17)
InChIKeyCIBBFKOETCUGBN-UHFFFAOYSA-N
XLogP2.33
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine with MolForge

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Related Compounds

N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine
CID 124843396
(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl-methylcarbamic acid
CID 68756865
6-bromo-2-(2-cyclohexylethyl)-1H-imidazo[4,5-b]pyridine
CID 56839810
2-(azetidin-3-ylmethyl)-6-bromo-1H-imidazo[4,5-b]pyridine
CID 64610224
8-(oxolan-2-ylmethyl)-7H-purine
CID 114402512
5-bromo-N-methyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62295126
6,7-dimethoxy-2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one
CID 136793213
6-bromo-2-undecyl-1H-imidazo[4,5-b]pyridine
CID 65426544
N,N-dimethyl-5-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]pyrimidin-2-amine
CID 99576651
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-[(2S)-oxolan-2-yl]methanamine
CID 127923306
3,5-dimethyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]pyridin-4-amine
CID 103182165
5-bromo-N-ethyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62282728

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine (CID 56793498) is N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine is CN(Cc1nc2ncc(Br)cc2[nH]1)CC1CCCO1.
What is the InChIKey of N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine?
The InChIKey is CIBBFKOETCUGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O/c1-18(7-10-3-2-4-19-10)8-12-16-11-5-9(14)6-15-13(11)17-12/h5-6,10H,2-4,7-8H2,1H3,(H,15,16,17).
What are the key properties of N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine?
N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine has a molecular weight of 325.21 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 56793498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).