acetic acid;3-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-(4-hydroxypiperidin-1-yl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-hydroxypiperidin-1-yl)-4-(3-hydroxypropyl)thieno[2,3-b]pyridine-2-carboxamide

C40H62N8O8S2Si — CID 157148664

About acetic acid;3-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-(4-hydroxypiperidin-1-yl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-hydroxypiperidin-1-yl)-4-(3-hydroxypropyl)thieno[2,3-b]pyridine-2-carboxamide

acetic acid;3-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-(4-hydroxypiperidin-1-yl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-hydroxypiperidin-1-yl)-4-(3-hydroxypropyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 157148664) has the molecular formula C40H62N8O8S2Si and a molecular weight of 875.20 g/mol. Its IUPAC name is acetic acid;3-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-(4-hydroxypiperidin-1-yl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-hydroxypiperidin-1-yl)-4-(3-hydroxypropyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: acetic acid;3-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-(4-hydroxypiperidin-1-yl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-hydroxypiperidin-1-yl)-4-(3-hydroxypropyl)thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 157148664
• Molecular Formula: C40H62N8O8S2Si
• Molecular Weight: 875.20 g/mol
• Exact Mass: 874.39
• IUPAC Name: acetic acid;3-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-(4-hydroxypiperidin-1-yl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-hydroxypiperidin-1-yl)-4-(3-hydroxypropyl)thieno[2,3-b]pyridine-2-carboxamide
• SMILES: CC(=O)O.CC(C)(C)[Si](C)(C)OCCCc1cc(N2CCC(O)CC2)nc2sc(C(N)=O)c(N)c12.NC(=O)c1sc2nc(N3CCC(O)CC3)cc(CCCO)c2c1N
• InChI: InChI=1S/C22H36N4O3SSi.C16H22N4O3S.C2H4O2/c1-22(2,3)31(4,5)29-12-6-7-14-13-16(26-10-8-15(27)9-11-26)25-21-17(14)18(23)19(30-21)20(24)28;17-13-12-9(2-1-7-21)8-11(20-5-3-10(22)4-6-20)19-16(12)24-14(13)15(18)23;1-2(3)4/h13,15,27H,6-12,23H2,1-5H3,(H2,24,28);8,10,21-22H,1-7,17H2,(H2,18,23);1H3,(H,3,4)
• InChIKey: NNEMWRVQJWQMQN-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 277.70 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	875.20
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of acetic acid;3-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-(4-hydroxypiperidin-1-yl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-hydroxypiperidin-1-yl)-4-(3-hydroxypropyl)thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of acetic acid;3-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-(4-hydroxypiperidin-1-yl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-hydroxypiperidin-1-yl)-4-(3-hydroxypropyl)thieno[2,3-b]pyridine-2-carboxamide (CID 157148664) is acetic acid;3-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-(4-hydroxypiperidin-1-yl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-hydroxypiperidin-1-yl)-4-(3-hydroxypropyl)thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for acetic acid;3-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-(4-hydroxypiperidin-1-yl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-hydroxypiperidin-1-yl)-4-(3-hydroxypropyl)thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for acetic acid;3-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-(4-hydroxypiperidin-1-yl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-hydroxypiperidin-1-yl)-4-(3-hydroxypropyl)thieno[2,3-b]pyridine-2-carboxamide is CC(=O)O.CC(C)(C)[Si](C)(C)OCCCc1cc(N2CCC(O)CC2)nc2sc(C(N)=O)c(N)c12.NC(=O)c1sc2nc(N3CCC(O)CC3)cc(CCCO)c2c1N.

What is the InChIKey of acetic acid;3-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-(4-hydroxypiperidin-1-yl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-hydroxypiperidin-1-yl)-4-(3-hydroxypropyl)thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is NNEMWRVQJWQMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O3SSi.C16H22N4O3S.C2H4O2/c1-22(2,3)31(4,5)29-12-6-7-14-13-16(26-10-8-15(27)9-11-26)25-21-17(14)18(23)19(30-21)20(24)28;17-13-12-9(2-1-7-21)8-11(20-5-3-10(22)4-6-20)19-16(12)24-14(13)15(18)23;1-2(3)4/h13,15,27H,6-12,23H2,1-5H3,(H2,24,28);8,10,21-22H,1-7,17H2,(H2,18,23);1H3,(H,3,4).

What are the key properties of acetic acid;3-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-(4-hydroxypiperidin-1-yl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-hydroxypiperidin-1-yl)-4-(3-hydroxypropyl)thieno[2,3-b]pyridine-2-carboxamide?

acetic acid;3-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-(4-hydroxypiperidin-1-yl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-hydroxypiperidin-1-yl)-4-(3-hydroxypropyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 875.20 g/mol, XLogP of 4.85, 12 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;3-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-(4-hydroxypiperidin-1-yl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-hydroxypiperidin-1-yl)-4-(3-hydroxypropyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 157148664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).