(2R)-2-amino-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]-N-phenylpropanamide;hydrochloride

C21H19Cl3N4O2S — CID 162391077

IUPAC(2R)-2-amino-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]-N-phenylpropanamide;hydrochloride
SMILESCl.N[C@H](Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1Cl)C(=O)Nc1ccccc1
InChIInChI=1S/C21H18Cl2N4O2S.ClH/c22-17-10-15(25-11-13-7-4-8-29-13)20-19(27-17)18(23)16(30-20)9-14(24)21(28)26-12-5-2-1-3-6-12;/h1-8,10,14H,9,11,24H2,(H,25,27)(H,26,28);1H/t14-;/m1./s1
InChIKeyAPQCWKQJLGRTRP-PFEQFJNWSA-N
MW497.84 g/mol
LogP5.74
Rot. Bonds7

About (2R)-2-amino-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]-N-phenylpropanamide;hydrochloride

(2R)-2-amino-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]-N-phenylpropanamide;hydrochloride (PubChem CID 162391077) has the molecular formula C21H19Cl3N4O2S and a molecular weight of 497.84 g/mol. Its IUPAC name is (2R)-2-amino-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]-N-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]-N-phenylpropanamide;hydrochloride
PubChem CID162391077
Molecular FormulaC21H19Cl3N4O2S
Molecular Weight497.84 g/mol
Exact Mass496.03
IUPAC Name(2R)-2-amino-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]-N-phenylpropanamide;hydrochloride
SMILESCl.N[C@H](Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1Cl)C(=O)Nc1ccccc1
InChIInChI=1S/C21H18Cl2N4O2S.ClH/c22-17-10-15(25-11-13-7-4-8-29-13)20-19(27-17)18(23)16(30-20)9-14(24)21(28)26-12-5-2-1-3-6-12;/h1-8,10,14H,9,11,24H2,(H,25,27)(H,26,28);1H/t14-;/m1./s1
InChIKeyAPQCWKQJLGRTRP-PFEQFJNWSA-N
XLogP5.74
TPSA93.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.84
LogP ≤ 55.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-furylmethyl)thieno[3,2-c]quinoline-2-carboxamide
CID 16195321
N-cyclohexyl-2-ethyl-7-(2-furylmethyl)-6-methyl-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide
CID 50756297
4-Chloro-N-[(furan-2-YL)methyl]thieno[3,2-C]quinoline-2-carboxamide
CID 45106253
2-[(2R)-2-amino-3-fluoropropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine
CID 162390830
2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 162390873
2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 162390894
2-[(2S)-2-amino-3-fluoropropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine
CID 162390895
2-[(2S)-2-amino-4-fluorobutyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 162390899
2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 162390927
2-[(2S)-2-amino-4-fluorobutyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine
CID 162390990
(2R)-2-amino-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]-N-(2-fluorophenyl)propanamide
CID 162391015
2-[(2R)-2-amino-3-fluoropropyl]-3,5-dichloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 162391038

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]-N-phenylpropanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]-N-phenylpropanamide;hydrochloride (CID 162391077) is (2R)-2-amino-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]-N-phenylpropanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]-N-phenylpropanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]-N-phenylpropanamide;hydrochloride is Cl.N[C@H](Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1Cl)C(=O)Nc1ccccc1.
What is the InChIKey of (2R)-2-amino-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]-N-phenylpropanamide;hydrochloride?
The InChIKey is APQCWKQJLGRTRP-PFEQFJNWSA-N. The full InChI is InChI=1S/C21H18Cl2N4O2S.ClH/c22-17-10-15(25-11-13-7-4-8-29-13)20-19(27-17)18(23)16(30-20)9-14(24)21(28)26-12-5-2-1-3-6-12;/h1-8,10,14H,9,11,24H2,(H,25,27)(H,26,28);1H/t14-;/m1./s1.
What are the key properties of (2R)-2-amino-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]-N-phenylpropanamide;hydrochloride?
(2R)-2-amino-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]-N-phenylpropanamide;hydrochloride has a molecular weight of 497.84 g/mol, XLogP of 5.74, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]-N-phenylpropanamide;hydrochloride is sourced from PubChem (CID 162391077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).