2-[(2R)-2-aminobut-3-ynyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;dihydrochloride

C17H18Cl3N3OS — CID 162391107

IUPAC2-[(2R)-2-aminobut-3-ynyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;dihydrochloride
SMILESC#C[C@H](N)Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1C.Cl.Cl
InChIInChI=1S/C17H16ClN3OS.2ClH/c1-3-11(19)7-14-10(2)16-17(23-14)13(8-15(18)21-16)20-9-12-5-4-6-22-12;;/h1,4-6,8,11H,7,9,19H2,2H3,(H,20,21);2*1H/t11-;;/m0../s1
InChIKeyHTZMNDRJTKFEGL-IDMXKUIJSA-N
MW418.78 g/mol
LogP4.81
Rot. Bonds5

About 2-[(2R)-2-aminobut-3-ynyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;dihydrochloride

2-[(2R)-2-aminobut-3-ynyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;dihydrochloride (PubChem CID 162391107) has the molecular formula C17H18Cl3N3OS and a molecular weight of 418.78 g/mol. Its IUPAC name is 2-[(2R)-2-aminobut-3-ynyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;dihydrochloride.

Molecular Properties

Compound Name2-[(2R)-2-aminobut-3-ynyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;dihydrochloride
PubChem CID162391107
Molecular FormulaC17H18Cl3N3OS
Molecular Weight418.78 g/mol
Exact Mass417.02
IUPAC Name2-[(2R)-2-aminobut-3-ynyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;dihydrochloride
SMILESC#C[C@H](N)Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1C.Cl.Cl
InChIInChI=1S/C17H16ClN3OS.2ClH/c1-3-11(19)7-14-10(2)16-17(23-14)13(8-15(18)21-16)20-9-12-5-4-6-22-12;;/h1,4-6,8,11H,7,9,19H2,2H3,(H,20,21);2*1H/t11-;;/m0../s1
InChIKeyHTZMNDRJTKFEGL-IDMXKUIJSA-N
XLogP4.81
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.78
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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-amino-3-isocyanopropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine
CID 164755990
2-[(1S)-1-amino-2-methylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine
CID 162390808
(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
2-(2-aminopropyl)-5-chloro-N-(furan-2-ylmethyl)-3-methoxythieno[3,2-b]pyridin-7-amine;dihydrochloride
CID 175189837
2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propan-1-ol
CID 162391078
1-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]ethanol
CID 155059859
(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-amino-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propanoic acid;dihydrochloride
CID 155059920
3-amino-4-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butanenitrile
CID 155059858
(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
tert-butyl-[[(2S,3R)-3-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]butan-2-yl]amino]-oxidosulfanium
CID 175723577

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-aminobut-3-ynyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;dihydrochloride?
The IUPAC name of 2-[(2R)-2-aminobut-3-ynyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;dihydrochloride (CID 162391107) is 2-[(2R)-2-aminobut-3-ynyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;dihydrochloride.
What is the SMILES notation for 2-[(2R)-2-aminobut-3-ynyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;dihydrochloride?
The canonical SMILES for 2-[(2R)-2-aminobut-3-ynyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;dihydrochloride is C#C[C@H](N)Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1C.Cl.Cl.
What is the InChIKey of 2-[(2R)-2-aminobut-3-ynyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;dihydrochloride?
The InChIKey is HTZMNDRJTKFEGL-IDMXKUIJSA-N. The full InChI is InChI=1S/C17H16ClN3OS.2ClH/c1-3-11(19)7-14-10(2)16-17(23-14)13(8-15(18)21-16)20-9-12-5-4-6-22-12;;/h1,4-6,8,11H,7,9,19H2,2H3,(H,20,21);2*1H/t11-;;/m0../s1.
What are the key properties of 2-[(2R)-2-aminobut-3-ynyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;dihydrochloride?
2-[(2R)-2-aminobut-3-ynyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;dihydrochloride has a molecular weight of 418.78 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-aminobut-3-ynyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;dihydrochloride is sourced from PubChem (CID 162391107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).