4-amino-2-[4-(2-cyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-hydroxyethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-hydroxyphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-sulfamoylphenyl)thieno[3,2-c]pyridine-7-carboxamide

C92H78N20O15S9 — CID 159737369

IUPAC4-amino-2-[4-(2-cyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-hydroxyethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-hydroxyphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-sulfamoylphenyl)thieno[3,2-c]pyridine-7-carboxamide
SMILESCS(=O)(=O)c1cccc(-c2cc3c(N)ncc(C(N)=O)c3s2)c1.N#CCCc1ccc(-c2cc3c(N)ncc(C(N)=O)c3s2)cc1.NC(=O)c1cnc(N)c2cc(-c3ccc(O)cc3)sc12.NC(=O)c1cnc(N)c2cc(-c3ccc(OCCO)cc3)sc12.NC(=O)c1cnc(N)c2cc(-c3ccc4c(c3)CS(=O)(=O)C4)sc12.NC(=O)c1cnc(N)c2cc(-c3cccc(S(N)(=O)=O)c3)sc12
InChIInChI=1S/C17H14N4OS.C16H13N3O3S2.C16H15N3O3S.C15H13N3O3S2.C14H12N4O3S2.C14H11N3O2S/c18-7-1-2-10-3-5-11(6-4-10)14-8-12-15(23-14)13(17(20)22)9-21-16(12)19;17-15-11-4-13(23-14(11)12(5-19-15)16(18)20)8-1-2-9-6-24(21,22)7-10(9)3-8;17-15-11-7-13(23-14(11)12(8-19-15)16(18)21)9-1-3-10(4-2-9)22-6-5-20;1-23(20,21)9-4-2-3-8(5-9)12-6-10-13(22-12)11(15(17)19)7-18-14(10)16;15-13-9-5-11(22-12(9)10(6-18-13)14(16)19)7-2-1-3-8(4-7)23(17,20)21;15-13-9-5-11(7-1-3-8(18)4-2-7)20-12(9)10(6-17-13)14(16)19/h3-6,8-9H,1-2H2,(H2,19,21)(H2,20,22);1-5H,6-7H2,(H2,17,19)(H2,18,20);1-4,7-8,20H,5-6H2,(H2,17,19)(H2,18,21);2-7H,1H3,(H2,16,18)(H2,17,19);1-6H,(H2,15,18)(H2,16,19)(H2,17,20,21);1-6,18H,(H2,15,17)(H2,16,19)
InChIKeyNBZVEOQUFSTOPB-UHFFFAOYSA-N
MW1992.36 g/mol
LogP12.88
Rot. Bonds19

About 4-amino-2-[4-(2-cyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-hydroxyethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-hydroxyphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-sulfamoylphenyl)thieno[3,2-c]pyridine-7-carboxamide

4-amino-2-[4-(2-cyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-hydroxyethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-hydroxyphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-sulfamoylphenyl)thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 159737369) has the molecular formula C92H78N20O15S9 and a molecular weight of 1992.36 g/mol. Its IUPAC name is 4-amino-2-[4-(2-cyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-hydroxyethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-hydroxyphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-sulfamoylphenyl)thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-amino-2-[4-(2-cyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-hydroxyethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-hydroxyphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-sulfamoylphenyl)thieno[3,2-c]pyridine-7-carboxamide
PubChem CID159737369
Molecular FormulaC92H78N20O15S9
Molecular Weight1992.36 g/mol
Exact Mass1990.34
IUPAC Name4-amino-2-[4-(2-cyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-hydroxyethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-hydroxyphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-sulfamoylphenyl)thieno[3,2-c]pyridine-7-carboxamide
SMILESCS(=O)(=O)c1cccc(-c2cc3c(N)ncc(C(N)=O)c3s2)c1.N#CCCc1ccc(-c2cc3c(N)ncc(C(N)=O)c3s2)cc1.NC(=O)c1cnc(N)c2cc(-c3ccc(O)cc3)sc12.NC(=O)c1cnc(N)c2cc(-c3ccc(OCCO)cc3)sc12.NC(=O)c1cnc(N)c2cc(-c3ccc4c(c3)CS(=O)(=O)C4)sc12.NC(=O)c1cnc(N)c2cc(-c3cccc(S(N)(=O)=O)c3)sc12
InChIInChI=1S/C17H14N4OS.C16H13N3O3S2.C16H15N3O3S.C15H13N3O3S2.C14H12N4O3S2.C14H11N3O2S/c18-7-1-2-10-3-5-11(6-4-10)14-8-12-15(23-14)13(17(20)22)9-21-16(12)19;17-15-11-4-13(23-14(11)12(5-19-15)16(18)20)8-1-2-9-6-24(21,22)7-10(9)3-8;17-15-11-7-13(23-14(11)12(8-19-15)16(18)21)9-1-3-10(4-2-9)22-6-5-20;1-23(20,21)9-4-2-3-8(5-9)12-6-10-13(22-12)11(15(17)19)7-18-14(10)16;15-13-9-5-11(22-12(9)10(6-18-13)14(16)19)7-2-1-3-8(4-7)23(17,20)21;15-13-9-5-11(7-1-3-8(18)4-2-7)20-12(9)10(6-17-13)14(16)19/h3-6,8-9H,1-2H2,(H2,19,21)(H2,20,22);1-5H,6-7H2,(H2,17,19)(H2,18,20);1-4,7-8,20H,5-6H2,(H2,17,19)(H2,18,21);2-7H,1H3,(H2,16,18)(H2,17,19);1-6H,(H2,15,18)(H2,16,19)(H2,17,20,21);1-6,18H,(H2,15,17)(H2,16,19)
InChIKeyNBZVEOQUFSTOPB-UHFFFAOYSA-N
XLogP12.88
TPSA693.92 Ų
H-Bond Donors15
H-Bond Acceptors34
Rotatable Bonds19
Heavy Atoms136
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001992.36
LogP ≤ 512.88
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1034

Analyze 4-amino-2-[4-(2-cyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-hydroxyethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-hydroxyphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-sulfamoylphenyl)thieno[3,2-c]pyridine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[4-(2-cyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-hydroxyethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-hydroxyphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-sulfamoylphenyl)thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 4-amino-2-[4-(2-cyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-hydroxyethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-hydroxyphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-sulfamoylphenyl)thieno[3,2-c]pyridine-7-carboxamide (CID 159737369) is 4-amino-2-[4-(2-cyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-hydroxyethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-hydroxyphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-sulfamoylphenyl)thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-amino-2-[4-(2-cyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-hydroxyethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-hydroxyphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-sulfamoylphenyl)thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 4-amino-2-[4-(2-cyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-hydroxyethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-hydroxyphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-sulfamoylphenyl)thieno[3,2-c]pyridine-7-carboxamide is CS(=O)(=O)c1cccc(-c2cc3c(N)ncc(C(N)=O)c3s2)c1.N#CCCc1ccc(-c2cc3c(N)ncc(C(N)=O)c3s2)cc1.NC(=O)c1cnc(N)c2cc(-c3ccc(O)cc3)sc12.NC(=O)c1cnc(N)c2cc(-c3ccc(OCCO)cc3)sc12.NC(=O)c1cnc(N)c2cc(-c3ccc4c(c3)CS(=O)(=O)C4)sc12.NC(=O)c1cnc(N)c2cc(-c3cccc(S(N)(=O)=O)c3)sc12.
What is the InChIKey of 4-amino-2-[4-(2-cyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-hydroxyethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-hydroxyphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-sulfamoylphenyl)thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is NBZVEOQUFSTOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS.C16H13N3O3S2.C16H15N3O3S.C15H13N3O3S2.C14H12N4O3S2.C14H11N3O2S/c18-7-1-2-10-3-5-11(6-4-10)14-8-12-15(23-14)13(17(20)22)9-21-16(12)19;17-15-11-4-13(23-14(11)12(5-19-15)16(18)20)8-1-2-9-6-24(21,22)7-10(9)3-8;17-15-11-7-13(23-14(11)12(8-19-15)16(18)21)9-1-3-10(4-2-9)22-6-5-20;1-23(20,21)9-4-2-3-8(5-9)12-6-10-13(22-12)11(15(17)19)7-18-14(10)16;15-13-9-5-11(22-12(9)10(6-18-13)14(16)19)7-2-1-3-8(4-7)23(17,20)21;15-13-9-5-11(7-1-3-8(18)4-2-7)20-12(9)10(6-17-13)14(16)19/h3-6,8-9H,1-2H2,(H2,19,21)(H2,20,22);1-5H,6-7H2,(H2,17,19)(H2,18,20);1-4,7-8,20H,5-6H2,(H2,17,19)(H2,18,21);2-7H,1H3,(H2,16,18)(H2,17,19);1-6H,(H2,15,18)(H2,16,19)(H2,17,20,21);1-6,18H,(H2,15,17)(H2,16,19).
What are the key properties of 4-amino-2-[4-(2-cyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-hydroxyethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-hydroxyphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-sulfamoylphenyl)thieno[3,2-c]pyridine-7-carboxamide?
4-amino-2-[4-(2-cyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-hydroxyethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-hydroxyphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-sulfamoylphenyl)thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 1992.36 g/mol, XLogP of 12.88, 19 rotatable bonds, 15 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[4-(2-cyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-hydroxyethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-hydroxyphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-sulfamoylphenyl)thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 159737369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).