4-amino-2-benzoylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-cyclohexylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methoxypropyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-N-methyl-2-phenylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(2-phenylethyl)thieno[3,2-c]pyridine-7-carboxamide

C87H84N18O10S7 — CID 159220587

IUPAC4-amino-2-benzoylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-cyclohexylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methoxypropyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-N-methyl-2-phenylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(2-phenylethyl)thieno[3,2-c]pyridine-7-carboxamide
SMILESCNC(=O)c1cnc(N)c2cc(-c3ccccc3)sc12.COCCCc1cc2c(N)ncc(C(N)=O)c2s1.CS(=O)(=O)c1ccc(-c2cc3c(N)ncc(C(N)=O)c3s2)cc1.NC(=O)c1cnc(N)c2cc(C(=O)c3ccccc3)sc12.NC(=O)c1cnc(N)c2cc(C3CCCCC3)sc12.NC(=O)c1cnc(N)c2cc(CCc3ccccc3)sc12
InChIInChI=1S/C16H15N3OS.C15H13N3O3S2.C15H11N3O2S.C15H13N3OS.C14H17N3OS.C12H15N3O2S/c17-15-12-8-11(7-6-10-4-2-1-3-5-10)21-14(12)13(9-19-15)16(18)20;1-23(20,21)9-4-2-8(3-5-9)12-6-10-13(22-12)11(15(17)19)7-18-14(10)16;16-14-9-6-11(12(19)8-4-2-1-3-5-8)21-13(9)10(7-18-14)15(17)20;1-17-15(19)11-8-18-14(16)10-7-12(20-13(10)11)9-5-3-2-4-6-9;15-13-9-6-11(8-4-2-1-3-5-8)19-12(9)10(7-17-13)14(16)18;1-17-4-2-3-7-5-8-10(18-7)9(12(14)16)6-15-11(8)13/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,20);2-7H,1H3,(H2,16,18)(H2,17,19);1-7H,(H2,16,18)(H2,17,20);2-8H,1H3,(H2,16,18)(H,17,19);6-8H,1-5H2,(H2,15,17)(H2,16,18);5-6H,2-4H2,1H3,(H2,13,15)(H2,14,16)
InChIKeyKRQAKAMEMCKBTQ-UHFFFAOYSA-N
MW1766.21 g/mol
LogP14.51
Rot. Bonds19

About 4-amino-2-benzoylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-cyclohexylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methoxypropyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-N-methyl-2-phenylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(2-phenylethyl)thieno[3,2-c]pyridine-7-carboxamide

4-amino-2-benzoylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-cyclohexylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methoxypropyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-N-methyl-2-phenylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(2-phenylethyl)thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 159220587) has the molecular formula C87H84N18O10S7 and a molecular weight of 1766.21 g/mol. Its IUPAC name is 4-amino-2-benzoylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-cyclohexylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methoxypropyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-N-methyl-2-phenylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(2-phenylethyl)thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-amino-2-benzoylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-cyclohexylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methoxypropyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-N-methyl-2-phenylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(2-phenylethyl)thieno[3,2-c]pyridine-7-carboxamide
PubChem CID159220587
Molecular FormulaC87H84N18O10S7
Molecular Weight1766.21 g/mol
Exact Mass1764.47
IUPAC Name4-amino-2-benzoylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-cyclohexylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methoxypropyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-N-methyl-2-phenylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(2-phenylethyl)thieno[3,2-c]pyridine-7-carboxamide
SMILESCNC(=O)c1cnc(N)c2cc(-c3ccccc3)sc12.COCCCc1cc2c(N)ncc(C(N)=O)c2s1.CS(=O)(=O)c1ccc(-c2cc3c(N)ncc(C(N)=O)c3s2)cc1.NC(=O)c1cnc(N)c2cc(C(=O)c3ccccc3)sc12.NC(=O)c1cnc(N)c2cc(C3CCCCC3)sc12.NC(=O)c1cnc(N)c2cc(CCc3ccccc3)sc12
InChIInChI=1S/C16H15N3OS.C15H13N3O3S2.C15H11N3O2S.C15H13N3OS.C14H17N3OS.C12H15N3O2S/c17-15-12-8-11(7-6-10-4-2-1-3-5-10)21-14(12)13(9-19-15)16(18)20;1-23(20,21)9-4-2-8(3-5-9)12-6-10-13(22-12)11(15(17)19)7-18-14(10)16;16-14-9-6-11(12(19)8-4-2-1-3-5-8)21-13(9)10(7-18-14)15(17)20;1-17-15(19)11-8-18-14(16)10-7-12(20-13(10)11)9-5-3-2-4-6-9;15-13-9-6-11(8-4-2-1-3-5-8)19-12(9)10(7-17-13)14(16)18;1-17-4-2-3-7-5-8-10(18-7)9(12(14)16)6-15-11(8)13/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,20);2-7H,1H3,(H2,16,18)(H2,17,19);1-7H,(H2,16,18)(H2,17,20);2-8H,1H3,(H2,16,18)(H,17,19);6-8H,1-5H2,(H2,15,17)(H2,16,18);5-6H,2-4H2,1H3,(H2,13,15)(H2,14,16)
InChIKeyKRQAKAMEMCKBTQ-UHFFFAOYSA-N
XLogP14.51
TPSA538.45 Ų
H-Bond Donors12
H-Bond Acceptors28
Rotatable Bonds19
Heavy Atoms122
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001766.21
LogP ≤ 514.51
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-amino-2-benzoylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-cyclohexylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methoxypropyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-N-methyl-2-phenylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(2-phenylethyl)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-benzoylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-cyclohexylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methoxypropyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-N-methyl-2-phenylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(2-phenylethyl)thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 4-amino-2-benzoylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-cyclohexylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methoxypropyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-N-methyl-2-phenylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(2-phenylethyl)thieno[3,2-c]pyridine-7-carboxamide (CID 159220587) is 4-amino-2-benzoylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-cyclohexylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methoxypropyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-N-methyl-2-phenylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(2-phenylethyl)thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-amino-2-benzoylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-cyclohexylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methoxypropyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-N-methyl-2-phenylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(2-phenylethyl)thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 4-amino-2-benzoylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-cyclohexylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methoxypropyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-N-methyl-2-phenylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(2-phenylethyl)thieno[3,2-c]pyridine-7-carboxamide is CNC(=O)c1cnc(N)c2cc(-c3ccccc3)sc12.COCCCc1cc2c(N)ncc(C(N)=O)c2s1.CS(=O)(=O)c1ccc(-c2cc3c(N)ncc(C(N)=O)c3s2)cc1.NC(=O)c1cnc(N)c2cc(C(=O)c3ccccc3)sc12.NC(=O)c1cnc(N)c2cc(C3CCCCC3)sc12.NC(=O)c1cnc(N)c2cc(CCc3ccccc3)sc12.
What is the InChIKey of 4-amino-2-benzoylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-cyclohexylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methoxypropyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-N-methyl-2-phenylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(2-phenylethyl)thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is KRQAKAMEMCKBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS.C15H13N3O3S2.C15H11N3O2S.C15H13N3OS.C14H17N3OS.C12H15N3O2S/c17-15-12-8-11(7-6-10-4-2-1-3-5-10)21-14(12)13(9-19-15)16(18)20;1-23(20,21)9-4-2-8(3-5-9)12-6-10-13(22-12)11(15(17)19)7-18-14(10)16;16-14-9-6-11(12(19)8-4-2-1-3-5-8)21-13(9)10(7-18-14)15(17)20;1-17-15(19)11-8-18-14(16)10-7-12(20-13(10)11)9-5-3-2-4-6-9;15-13-9-6-11(8-4-2-1-3-5-8)19-12(9)10(7-17-13)14(16)18;1-17-4-2-3-7-5-8-10(18-7)9(12(14)16)6-15-11(8)13/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,20);2-7H,1H3,(H2,16,18)(H2,17,19);1-7H,(H2,16,18)(H2,17,20);2-8H,1H3,(H2,16,18)(H,17,19);6-8H,1-5H2,(H2,15,17)(H2,16,18);5-6H,2-4H2,1H3,(H2,13,15)(H2,14,16).
What are the key properties of 4-amino-2-benzoylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-cyclohexylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methoxypropyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-N-methyl-2-phenylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(2-phenylethyl)thieno[3,2-c]pyridine-7-carboxamide?
4-amino-2-benzoylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-cyclohexylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methoxypropyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-N-methyl-2-phenylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(2-phenylethyl)thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 1766.21 g/mol, XLogP of 14.51, 19 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-benzoylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-cyclohexylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methoxypropyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-N-methyl-2-phenylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methylsulfonylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(2-phenylethyl)thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 159220587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).