(2R,3R)-3-amino-4-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butan-2-ol;hydrochloride

C16H18BrCl2N3O2S — CID 154681263

IUPAC(2R,3R)-3-amino-4-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butan-2-ol;hydrochloride
SMILESC[C@@H](O)[C@H](N)Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1Br.Cl
InChIInChI=1S/C16H17BrClN3O2S.ClH/c1-8(22)10(19)5-12-14(17)15-16(24-12)11(6-13(18)21-15)20-7-9-3-2-4-23-9;/h2-4,6,8,10,22H,5,7,19H2,1H3,(H,20,21);1H/t8-,10-;/m1./s1
InChIKeyOCBDGUVGXBWNLR-GHXDPTCOSA-N
MW467.22 g/mol
LogP4.59
Rot. Bonds6

About (2R,3R)-3-amino-4-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butan-2-ol;hydrochloride

(2R,3R)-3-amino-4-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butan-2-ol;hydrochloride (PubChem CID 154681263) has the molecular formula C16H18BrCl2N3O2S and a molecular weight of 467.22 g/mol. Its IUPAC name is (2R,3R)-3-amino-4-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butan-2-ol;hydrochloride.

Molecular Properties

Compound Name(2R,3R)-3-amino-4-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butan-2-ol;hydrochloride
PubChem CID154681263
Molecular FormulaC16H18BrCl2N3O2S
Molecular Weight467.22 g/mol
Exact Mass464.97
IUPAC Name(2R,3R)-3-amino-4-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butan-2-ol;hydrochloride
SMILESC[C@@H](O)[C@H](N)Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1Br.Cl
InChIInChI=1S/C16H17BrClN3O2S.ClH/c1-8(22)10(19)5-12-14(17)15-16(24-12)11(6-13(18)21-15)20-7-9-3-2-4-23-9;/h2-4,6,8,10,22H,5,7,19H2,1H3,(H,20,21);1H/t8-,10-;/m1./s1
InChIKeyOCBDGUVGXBWNLR-GHXDPTCOSA-N
XLogP4.59
TPSA84.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.22
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2R,3R)-3-amino-4-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butan-2-ol;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-amino-4-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butan-2-ol;hydrochloride?
The IUPAC name of (2R,3R)-3-amino-4-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butan-2-ol;hydrochloride (CID 154681263) is (2R,3R)-3-amino-4-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butan-2-ol;hydrochloride.
What is the SMILES notation for (2R,3R)-3-amino-4-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butan-2-ol;hydrochloride?
The canonical SMILES for (2R,3R)-3-amino-4-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butan-2-ol;hydrochloride is C[C@@H](O)[C@H](N)Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1Br.Cl.
What is the InChIKey of (2R,3R)-3-amino-4-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butan-2-ol;hydrochloride?
The InChIKey is OCBDGUVGXBWNLR-GHXDPTCOSA-N. The full InChI is InChI=1S/C16H17BrClN3O2S.ClH/c1-8(22)10(19)5-12-14(17)15-16(24-12)11(6-13(18)21-15)20-7-9-3-2-4-23-9;/h2-4,6,8,10,22H,5,7,19H2,1H3,(H,20,21);1H/t8-,10-;/m1./s1.
What are the key properties of (2R,3R)-3-amino-4-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butan-2-ol;hydrochloride?
(2R,3R)-3-amino-4-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butan-2-ol;hydrochloride has a molecular weight of 467.22 g/mol, XLogP of 4.59, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-amino-4-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butan-2-ol;hydrochloride is sourced from PubChem (CID 154681263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).