(2R)-2-amino-3-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;dihydrochloride

C15H17BrCl3N3O2S — CID 162390821

IUPAC(2R)-2-amino-3-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;dihydrochloride
SMILESCl.Cl.N[C@@H](CO)Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1Br
InChIInChI=1S/C15H15BrClN3O2S.2ClH/c16-13-11(4-8(18)7-21)23-15-10(5-12(17)20-14(13)15)19-6-9-2-1-3-22-9;;/h1-3,5,8,21H,4,6-7,18H2,(H,19,20);2*1H/t8-;;/m1../s1
InChIKeyADLXOHUIUUDIRS-YCBDHFTFSA-N
MW489.65 g/mol
LogP4.62
Rot. Bonds6

About (2R)-2-amino-3-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;dihydrochloride

(2R)-2-amino-3-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;dihydrochloride (PubChem CID 162390821) has the molecular formula C15H17BrCl3N3O2S and a molecular weight of 489.65 g/mol. Its IUPAC name is (2R)-2-amino-3-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-3-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;dihydrochloride
PubChem CID162390821
Molecular FormulaC15H17BrCl3N3O2S
Molecular Weight489.65 g/mol
Exact Mass486.93
IUPAC Name(2R)-2-amino-3-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;dihydrochloride
SMILESCl.Cl.N[C@@H](CO)Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1Br
InChIInChI=1S/C15H15BrClN3O2S.2ClH/c16-13-11(4-8(18)7-21)23-15-10(5-12(17)20-14(13)15)19-6-9-2-1-3-22-9;;/h1-3,5,8,21H,4,6-7,18H2,(H,19,20);2*1H/t8-;;/m1../s1
InChIKeyADLXOHUIUUDIRS-YCBDHFTFSA-N
XLogP4.62
TPSA84.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.65
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R)-2-amino-3-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;dihydrochloride with MolForge

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Related Compounds

3-amino-4-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butanenitrile
CID 155059858
2-[(2S)-2-amino-4-fluorobutyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine
CID 162390990
2-[(2R)-2-amino-3-isocyanopropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine
CID 164755990
2-(2-aminopropyl)-5-chloro-N-(furan-2-ylmethyl)-3-methoxythieno[3,2-b]pyridin-7-amine;dihydrochloride
CID 175189837
2-amino-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propanoic acid;dihydrochloride
CID 155059920
2-[(2S)-2-aminobutyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;dihydrochloride
CID 162390867
2-[(2S)-2-aminopropyl]-3-bromo-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile
CID 162390817
2-[(2R)-2-aminobut-3-ynyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;dihydrochloride
CID 162391107
2-[(2S)-2-amino-4-fluorobutyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride
CID 162391081
2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propan-1-ol
CID 162391078
(2R)-2-amino-N-(4-chlorophenyl)-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propanamide;hydrochloride
CID 155059994
2-[(1S)-1-amino-2-methylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine
CID 162390808

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;dihydrochloride?
The IUPAC name of (2R)-2-amino-3-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;dihydrochloride (CID 162390821) is (2R)-2-amino-3-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-3-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;dihydrochloride?
The canonical SMILES for (2R)-2-amino-3-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;dihydrochloride is Cl.Cl.N[C@@H](CO)Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1Br.
What is the InChIKey of (2R)-2-amino-3-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;dihydrochloride?
The InChIKey is ADLXOHUIUUDIRS-YCBDHFTFSA-N. The full InChI is InChI=1S/C15H15BrClN3O2S.2ClH/c16-13-11(4-8(18)7-21)23-15-10(5-12(17)20-14(13)15)19-6-9-2-1-3-22-9;;/h1-3,5,8,21H,4,6-7,18H2,(H,19,20);2*1H/t8-;;/m1../s1.
What are the key properties of (2R)-2-amino-3-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;dihydrochloride?
(2R)-2-amino-3-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;dihydrochloride has a molecular weight of 489.65 g/mol, XLogP of 4.62, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;dihydrochloride is sourced from PubChem (CID 162390821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).