4-[6-bromo-3-[[(2S)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol

C18H18BrN3O3 — CID 1154310

IUPAC4-[6-bromo-3-[[(2S)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol
SMILESOc1ccc(-c2nc3ccc(Br)cn3c2NC[C@@H]2CCCO2)c(O)c1
InChIInChI=1S/C18H18BrN3O3/c19-11-3-6-16-21-17(14-5-4-12(23)8-15(14)24)18(22(16)10-11)20-9-13-2-1-7-25-13/h3-6,8,10,13,20,23-24H,1-2,7,9H2/t13-/m0/s1
InChIKeyMBBFPXPYRXMDJE-ZDUSSCGKSA-N
MW404.26 g/mol
LogP3.77
Rot. Bonds4

About 4-[6-bromo-3-[[(2S)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol

4-[6-bromo-3-[[(2S)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol (PubChem CID 1154310) has the molecular formula C18H18BrN3O3 and a molecular weight of 404.26 g/mol. Its IUPAC name is 4-[6-bromo-3-[[(2S)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[6-bromo-3-[[(2S)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol
PubChem CID1154310
Molecular FormulaC18H18BrN3O3
Molecular Weight404.26 g/mol
Exact Mass403.05
IUPAC Name4-[6-bromo-3-[[(2S)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol
SMILESOc1ccc(-c2nc3ccc(Br)cn3c2NC[C@@H]2CCCO2)c(O)c1
InChIInChI=1S/C18H18BrN3O3/c19-11-3-6-16-21-17(14-5-4-12(23)8-15(14)24)18(22(16)10-11)20-9-13-2-1-7-25-13/h3-6,8,10,13,20,23-24H,1-2,7,9H2/t13-/m0/s1
InChIKeyMBBFPXPYRXMDJE-ZDUSSCGKSA-N
XLogP3.77
TPSA79.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.26
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[6-bromo-3-[[(2S)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-bromo-2-[4-(dimethylamino)phenyl]-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-3-amine;hydrochloride
CID 171667882
2-[3-[[(2S)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyrazin-2-yl]phenol
CID 136681982
6-chloro-2-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]imidazo[1,2-a]pyridin-3-amine
CID 1144698
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
7-bromo-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 45100195
6-bromo-3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139205
2-ethoxy-4-[3-[[(2R)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyrazin-2-yl]phenol
CID 136691347
2,4-dibromo-N-(oxolan-2-ylmethyl)aniline
CID 60680681
5-bromo-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-amine
CID 29266636

Frequently Asked Questions

What is the IUPAC name of 4-[6-bromo-3-[[(2S)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol?
The IUPAC name of 4-[6-bromo-3-[[(2S)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol (CID 1154310) is 4-[6-bromo-3-[[(2S)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[6-bromo-3-[[(2S)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol?
The canonical SMILES for 4-[6-bromo-3-[[(2S)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol is Oc1ccc(-c2nc3ccc(Br)cn3c2NC[C@@H]2CCCO2)c(O)c1.
What is the InChIKey of 4-[6-bromo-3-[[(2S)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol?
The InChIKey is MBBFPXPYRXMDJE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18BrN3O3/c19-11-3-6-16-21-17(14-5-4-12(23)8-15(14)24)18(22(16)10-11)20-9-13-2-1-7-25-13/h3-6,8,10,13,20,23-24H,1-2,7,9H2/t13-/m0/s1.
What are the key properties of 4-[6-bromo-3-[[(2S)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol?
4-[6-bromo-3-[[(2S)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol has a molecular weight of 404.26 g/mol, XLogP of 3.77, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-bromo-3-[[(2S)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol is sourced from PubChem (CID 1154310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).