6-bromo-2-[4-(dimethylamino)phenyl]-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-3-amine;hydrochloride

C20H24BrClN4O — CID 171667882

IUPAC6-bromo-2-[4-(dimethylamino)phenyl]-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-3-amine;hydrochloride
SMILESCN(C)c1ccc(-c2nc3ccc(Br)cn3c2NCC2CCCO2)cc1.Cl
InChIInChI=1S/C20H23BrN4O.ClH/c1-24(2)16-8-5-14(6-9-16)19-20(22-12-17-4-3-11-26-17)25-13-15(21)7-10-18(25)23-19;/h5-10,13,17,22H,3-4,11-12H2,1-2H3;1H
InChIKeyPAEOLJUPRLYANC-UHFFFAOYSA-N
MW451.80 g/mol
LogP4.84
Rot. Bonds5

About 6-bromo-2-[4-(dimethylamino)phenyl]-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-3-amine;hydrochloride

6-bromo-2-[4-(dimethylamino)phenyl]-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-3-amine;hydrochloride (PubChem CID 171667882) has the molecular formula C20H24BrClN4O and a molecular weight of 451.80 g/mol. Its IUPAC name is 6-bromo-2-[4-(dimethylamino)phenyl]-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-3-amine;hydrochloride.

Molecular Properties

Compound Name6-bromo-2-[4-(dimethylamino)phenyl]-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-3-amine;hydrochloride
PubChem CID171667882
Molecular FormulaC20H24BrClN4O
Molecular Weight451.80 g/mol
Exact Mass450.08
IUPAC Name6-bromo-2-[4-(dimethylamino)phenyl]-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-3-amine;hydrochloride
SMILESCN(C)c1ccc(-c2nc3ccc(Br)cn3c2NCC2CCCO2)cc1.Cl
InChIInChI=1S/C20H23BrN4O.ClH/c1-24(2)16-8-5-14(6-9-16)19-20(22-12-17-4-3-11-26-17)25-13-15(21)7-10-18(25)23-19;/h5-10,13,17,22H,3-4,11-12H2,1-2H3;1H
InChIKeyPAEOLJUPRLYANC-UHFFFAOYSA-N
XLogP4.84
TPSA41.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.80
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-bromo-2-[4-(dimethylamino)phenyl]-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-3-amine;hydrochloride with MolForge

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Related Compounds

6-bromo-N-(oxolan-2-ylmethyl)-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine
CID 3180938
6-bromo-N-[[(2S)-oxolan-2-yl]methyl]-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine
CID 1154351
6-chloro-2-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]imidazo[1,2-a]pyridin-3-amine
CID 1144698
4-[6-bromo-3-[[(2S)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol
CID 1154310
6-chloro-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine
CID 16669375
4-[8-methyl-3-[[(2R)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyridin-2-yl]phenol
CID 1154229
N,N-dimethyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline
CID 834270
7-bromo-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 45100195
2-ethoxy-4-[3-[[(2R)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyrazin-2-yl]phenol
CID 136691347
6-(4-bromophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine
CID 29126982
4-(dimethylamino)-N-(oxolan-2-ylmethyl)benzenecarbothioamide
CID 2983117
6-bromo-2-[3-(dimethylamino)phenyl]-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 15989669

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[4-(dimethylamino)phenyl]-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-3-amine;hydrochloride?
The IUPAC name of 6-bromo-2-[4-(dimethylamino)phenyl]-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-3-amine;hydrochloride (CID 171667882) is 6-bromo-2-[4-(dimethylamino)phenyl]-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-3-amine;hydrochloride.
What is the SMILES notation for 6-bromo-2-[4-(dimethylamino)phenyl]-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-3-amine;hydrochloride?
The canonical SMILES for 6-bromo-2-[4-(dimethylamino)phenyl]-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-3-amine;hydrochloride is CN(C)c1ccc(-c2nc3ccc(Br)cn3c2NCC2CCCO2)cc1.Cl.
What is the InChIKey of 6-bromo-2-[4-(dimethylamino)phenyl]-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-3-amine;hydrochloride?
The InChIKey is PAEOLJUPRLYANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN4O.ClH/c1-24(2)16-8-5-14(6-9-16)19-20(22-12-17-4-3-11-26-17)25-13-15(21)7-10-18(25)23-19;/h5-10,13,17,22H,3-4,11-12H2,1-2H3;1H.
What are the key properties of 6-bromo-2-[4-(dimethylamino)phenyl]-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-3-amine;hydrochloride?
6-bromo-2-[4-(dimethylamino)phenyl]-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-3-amine;hydrochloride has a molecular weight of 451.80 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[4-(dimethylamino)phenyl]-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-3-amine;hydrochloride is sourced from PubChem (CID 171667882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).