N-[2-[(2R)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-(3-acetylphenyl)ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-hydroxybut-3-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(2-hydroxyprop-2-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C104H109N15O10S5 — CID 158878427

About N-[2-[(2R)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-(3-acetylphenyl)ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-hydroxybut-3-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(2-hydroxyprop-2-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

N-[2-[(2R)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-(3-acetylphenyl)ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-hydroxybut-3-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(2-hydroxyprop-2-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 158878427) has the molecular formula C104H109N15O10S5 and a molecular weight of 1889.45 g/mol. Its IUPAC name is N-[2-[(2R)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-(3-acetylphenyl)ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-hydroxybut-3-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(2-hydroxyprop-2-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(2R)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-(3-acetylphenyl)ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-hydroxybut-3-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(2-hydroxyprop-2-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 158878427
• Molecular Formula: C104H109N15O10S5
• Molecular Weight: 1889.45 g/mol
• Exact Mass: 1887.71
• IUPAC Name: N-[2-[(2R)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-(3-acetylphenyl)ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-hydroxybut-3-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(2-hydroxyprop-2-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: C=C(O)CCc1ccc(CCNC(=O)c2sc3nc(C)ccc3c2N)cc1.C=C(O)Cc1ccc(CCNC(=O)c2sc3nc(C)ccc3c2N)cc1.CC(=O)[C@@H]1Cc2ccc(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2C1.CC(=O)[C@H]1Cc2ccc(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2C1.CC(=O)c1cccc(CCNC(=O)c2sc3nc(C)ccc3c2N)c1
• InChI: InChI=1S/2C22H23N3O2S.C21H23N3O2S.C20H21N3O2S.C19H19N3O2S/c2*1-12-3-6-18-19(23)20(28-22(18)25-12)21(27)24-8-7-14-4-5-15-10-16(13(2)26)11-17(15)9-14;1-13-3-10-17-18(22)19(27-21(17)24-13)20(26)23-12-11-16-8-6-15(7-9-16)5-4-14(2)25;1-12-3-8-16-17(21)18(26-20(16)23-12)19(25)22-10-9-14-4-6-15(7-5-14)11-13(2)24;1-11-6-7-15-16(20)17(25-19(15)22-11)18(24)21-9-8-13-4-3-5-14(10-13)12(2)23/h2*3-6,9,16H,7-8,10-11,23H2,1-2H3,(H,24,27);3,6-10,25H,2,4-5,11-12,22H2,1H3,(H,23,26);3-8,24H,2,9-11,21H2,1H3,(H,22,25);3-7,10H,8-9,20H2,1-2H3,(H,21,24)/t2*16-;;;/m10.../s1
• InChIKey: JCSRBHWFRRQAII-UVEUQFPUSA-N
• XLogP: 18.23
• TPSA: 431.72 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 25
• Rotatable Bonds: 28
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1889.45
LogP ≤ 5	18.23
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-(3-acetylphenyl)ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-hydroxybut-3-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(2-hydroxyprop-2-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of N-[2-[(2R)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-(3-acetylphenyl)ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-hydroxybut-3-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(2-hydroxyprop-2-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 158878427) is N-[2-[(2R)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-(3-acetylphenyl)ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-hydroxybut-3-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(2-hydroxyprop-2-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for N-[2-[(2R)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-(3-acetylphenyl)ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-hydroxybut-3-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(2-hydroxyprop-2-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for N-[2-[(2R)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-(3-acetylphenyl)ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-hydroxybut-3-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(2-hydroxyprop-2-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is C=C(O)CCc1ccc(CCNC(=O)c2sc3nc(C)ccc3c2N)cc1.C=C(O)Cc1ccc(CCNC(=O)c2sc3nc(C)ccc3c2N)cc1.CC(=O)[C@@H]1Cc2ccc(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2C1.CC(=O)[C@H]1Cc2ccc(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2C1.CC(=O)c1cccc(CCNC(=O)c2sc3nc(C)ccc3c2N)c1.

What is the InChIKey of N-[2-[(2R)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-(3-acetylphenyl)ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-hydroxybut-3-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(2-hydroxyprop-2-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is JCSRBHWFRRQAII-UVEUQFPUSA-N. The full InChI is InChI=1S/2C22H23N3O2S.C21H23N3O2S.C20H21N3O2S.C19H19N3O2S/c2*1-12-3-6-18-19(23)20(28-22(18)25-12)21(27)24-8-7-14-4-5-15-10-16(13(2)26)11-17(15)9-14;1-13-3-10-17-18(22)19(27-21(17)24-13)20(26)23-12-11-16-8-6-15(7-9-16)5-4-14(2)25;1-12-3-8-16-17(21)18(26-20(16)23-12)19(25)22-10-9-14-4-6-15(7-5-14)11-13(2)24;1-11-6-7-15-16(20)17(25-19(15)22-11)18(24)21-9-8-13-4-3-5-14(10-13)12(2)23/h2*3-6,9,16H,7-8,10-11,23H2,1-2H3,(H,24,27);3,6-10,25H,2,4-5,11-12,22H2,1H3,(H,23,26);3-8,24H,2,9-11,21H2,1H3,(H,22,25);3-7,10H,8-9,20H2,1-2H3,(H,21,24)/t2*16-;;;/m10.../s1.

What are the key properties of N-[2-[(2R)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-(3-acetylphenyl)ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-hydroxybut-3-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(2-hydroxyprop-2-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

N-[2-[(2R)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-(3-acetylphenyl)ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-hydroxybut-3-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(2-hydroxyprop-2-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 1889.45 g/mol, XLogP of 18.23, 28 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2R)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-[(2S)-2-acetyl-2,3-dihydro-1H-inden-5-yl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[2-(3-acetylphenyl)ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(3-hydroxybut-3-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-(2-hydroxyprop-2-enyl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 158878427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).