2-(2-aminopropyl)-5-chloro-N-(furan-2-ylmethyl)-3-methoxythieno[3,2-b]pyridin-7-amine;dihydrochloride

C16H20Cl3N3O2S — CID 175189837

IUPAC2-(2-aminopropyl)-5-chloro-N-(furan-2-ylmethyl)-3-methoxythieno[3,2-b]pyridin-7-amine;dihydrochloride
SMILESCOc1c(CC(C)N)sc2c(NCc3ccco3)cc(Cl)nc12.Cl.Cl
InChIInChI=1S/C16H18ClN3O2S.2ClH/c1-9(18)6-12-15(21-2)14-16(23-12)11(7-13(17)20-14)19-8-10-4-3-5-22-10;;/h3-5,7,9H,6,8,18H2,1-2H3,(H,19,20);2*1H
InChIKeyMPBXGJMEGPEORM-UHFFFAOYSA-N
MW424.78 g/mol
LogP4.90
Rot. Bonds6

About 2-(2-aminopropyl)-5-chloro-N-(furan-2-ylmethyl)-3-methoxythieno[3,2-b]pyridin-7-amine;dihydrochloride

2-(2-aminopropyl)-5-chloro-N-(furan-2-ylmethyl)-3-methoxythieno[3,2-b]pyridin-7-amine;dihydrochloride (PubChem CID 175189837) has the molecular formula C16H20Cl3N3O2S and a molecular weight of 424.78 g/mol. Its IUPAC name is 2-(2-aminopropyl)-5-chloro-N-(furan-2-ylmethyl)-3-methoxythieno[3,2-b]pyridin-7-amine;dihydrochloride.

Molecular Properties

Compound Name2-(2-aminopropyl)-5-chloro-N-(furan-2-ylmethyl)-3-methoxythieno[3,2-b]pyridin-7-amine;dihydrochloride
PubChem CID175189837
Molecular FormulaC16H20Cl3N3O2S
Molecular Weight424.78 g/mol
Exact Mass423.03
IUPAC Name2-(2-aminopropyl)-5-chloro-N-(furan-2-ylmethyl)-3-methoxythieno[3,2-b]pyridin-7-amine;dihydrochloride
SMILESCOc1c(CC(C)N)sc2c(NCc3ccco3)cc(Cl)nc12.Cl.Cl
InChIInChI=1S/C16H18ClN3O2S.2ClH/c1-9(18)6-12-15(21-2)14-16(23-12)11(7-13(17)20-14)19-8-10-4-3-5-22-10;;/h3-5,7,9H,6,8,18H2,1-2H3,(H,19,20);2*1H
InChIKeyMPBXGJMEGPEORM-UHFFFAOYSA-N
XLogP4.90
TPSA73.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.78
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2-aminopropyl)-5-chloro-N-(furan-2-ylmethyl)-3-methoxythieno[3,2-b]pyridin-7-amine;dihydrochloride with MolForge

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Related Compounds

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-aminobut-3-ynyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;dihydrochloride
CID 162391107
2-[(2R)-2-amino-3-isocyanopropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine
CID 164755990
(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
2-[(1S)-1-amino-2-methylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine
CID 162390808
2-amino-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propanoic acid;dihydrochloride
CID 155059920
2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propan-1-ol
CID 162391078
3-amino-4-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butanenitrile
CID 155059858
1-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]ethanol
CID 155059859
2-[(2S)-2-aminopropyl]-3-bromo-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile
CID 162390817
(2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]-N-(3-chlorophenyl)propanamide;hydrochloride
CID 162390857
(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

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-5-chloro-N-(furan-2-ylmethyl)-3-methoxythieno[3,2-b]pyridin-7-amine;dihydrochloride?
The IUPAC name of 2-(2-aminopropyl)-5-chloro-N-(furan-2-ylmethyl)-3-methoxythieno[3,2-b]pyridin-7-amine;dihydrochloride (CID 175189837) is 2-(2-aminopropyl)-5-chloro-N-(furan-2-ylmethyl)-3-methoxythieno[3,2-b]pyridin-7-amine;dihydrochloride.
What is the SMILES notation for 2-(2-aminopropyl)-5-chloro-N-(furan-2-ylmethyl)-3-methoxythieno[3,2-b]pyridin-7-amine;dihydrochloride?
The canonical SMILES for 2-(2-aminopropyl)-5-chloro-N-(furan-2-ylmethyl)-3-methoxythieno[3,2-b]pyridin-7-amine;dihydrochloride is COc1c(CC(C)N)sc2c(NCc3ccco3)cc(Cl)nc12.Cl.Cl.
What is the InChIKey of 2-(2-aminopropyl)-5-chloro-N-(furan-2-ylmethyl)-3-methoxythieno[3,2-b]pyridin-7-amine;dihydrochloride?
The InChIKey is MPBXGJMEGPEORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2S.2ClH/c1-9(18)6-12-15(21-2)14-16(23-12)11(7-13(17)20-14)19-8-10-4-3-5-22-10;;/h3-5,7,9H,6,8,18H2,1-2H3,(H,19,20);2*1H.
What are the key properties of 2-(2-aminopropyl)-5-chloro-N-(furan-2-ylmethyl)-3-methoxythieno[3,2-b]pyridin-7-amine;dihydrochloride?
2-(2-aminopropyl)-5-chloro-N-(furan-2-ylmethyl)-3-methoxythieno[3,2-b]pyridin-7-amine;dihydrochloride has a molecular weight of 424.78 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-5-chloro-N-(furan-2-ylmethyl)-3-methoxythieno[3,2-b]pyridin-7-amine;dihydrochloride is sourced from PubChem (CID 175189837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).