5-(2-formylthieno[3,2-b]pyridin-7-yl)oxy-N-hex-2-ynyl-2-methylindole-1-carboxamide;methanol;1-methylpyrrolidine

C30H36N4O4S — CID 142802070

About 5-(2-formylthieno[3,2-b]pyridin-7-yl)oxy-N-hex-2-ynyl-2-methylindole-1-carboxamide;methanol;1-methylpyrrolidine

5-(2-formylthieno[3,2-b]pyridin-7-yl)oxy-N-hex-2-ynyl-2-methylindole-1-carboxamide;methanol;1-methylpyrrolidine (PubChem CID 142802070) has the molecular formula C30H36N4O4S and a molecular weight of 548.71 g/mol. Its IUPAC name is 5-(2-formylthieno[3,2-b]pyridin-7-yl)oxy-N-hex-2-ynyl-2-methylindole-1-carboxamide;methanol;1-methylpyrrolidine.

Molecular Properties

• Compound Name: 5-(2-formylthieno[3,2-b]pyridin-7-yl)oxy-N-hex-2-ynyl-2-methylindole-1-carboxamide;methanol;1-methylpyrrolidine
• PubChem CID: 142802070
• Molecular Formula: C30H36N4O4S
• Molecular Weight: 548.71 g/mol
• Exact Mass: 548.25
• IUPAC Name: 5-(2-formylthieno[3,2-b]pyridin-7-yl)oxy-N-hex-2-ynyl-2-methylindole-1-carboxamide;methanol;1-methylpyrrolidine
• SMILES: CCCC#CCNC(=O)n1c(C)cc2cc(Oc3ccnc4cc(C=O)sc34)ccc21.CN1CCCC1.CO
• InChI: InChI=1S/C24H21N3O3S.C5H11N.CH4O/c1-3-4-5-6-10-26-24(29)27-16(2)12-17-13-18(7-8-21(17)27)30-22-9-11-25-20-14-19(15-28)31-23(20)22;1-6-4-2-3-5-6;1-2/h7-9,11-15H,3-4,10H2,1-2H3,(H,26,29);2-5H2,1H3;2H,1H3
• InChIKey: ASDULBBQTQLOQI-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 96.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.71
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(2-formylthieno[3,2-b]pyridin-7-yl)oxy-N-hex-2-ynyl-2-methylindole-1-carboxamide;methanol;1-methylpyrrolidine?

The IUPAC name of 5-(2-formylthieno[3,2-b]pyridin-7-yl)oxy-N-hex-2-ynyl-2-methylindole-1-carboxamide;methanol;1-methylpyrrolidine (CID 142802070) is 5-(2-formylthieno[3,2-b]pyridin-7-yl)oxy-N-hex-2-ynyl-2-methylindole-1-carboxamide;methanol;1-methylpyrrolidine.

What is the SMILES notation for 5-(2-formylthieno[3,2-b]pyridin-7-yl)oxy-N-hex-2-ynyl-2-methylindole-1-carboxamide;methanol;1-methylpyrrolidine?

The canonical SMILES for 5-(2-formylthieno[3,2-b]pyridin-7-yl)oxy-N-hex-2-ynyl-2-methylindole-1-carboxamide;methanol;1-methylpyrrolidine is CCCC#CCNC(=O)n1c(C)cc2cc(Oc3ccnc4cc(C=O)sc34)ccc21.CN1CCCC1.CO.

What is the InChIKey of 5-(2-formylthieno[3,2-b]pyridin-7-yl)oxy-N-hex-2-ynyl-2-methylindole-1-carboxamide;methanol;1-methylpyrrolidine?

The InChIKey is ASDULBBQTQLOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S.C5H11N.CH4O/c1-3-4-5-6-10-26-24(29)27-16(2)12-17-13-18(7-8-21(17)27)30-22-9-11-25-20-14-19(15-28)31-23(20)22;1-6-4-2-3-5-6;1-2/h7-9,11-15H,3-4,10H2,1-2H3,(H,26,29);2-5H2,1H3;2H,1H3.

What are the key properties of 5-(2-formylthieno[3,2-b]pyridin-7-yl)oxy-N-hex-2-ynyl-2-methylindole-1-carboxamide;methanol;1-methylpyrrolidine?

5-(2-formylthieno[3,2-b]pyridin-7-yl)oxy-N-hex-2-ynyl-2-methylindole-1-carboxamide;methanol;1-methylpyrrolidine has a molecular weight of 548.71 g/mol, XLogP of 5.85, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-formylthieno[3,2-b]pyridin-7-yl)oxy-N-hex-2-ynyl-2-methylindole-1-carboxamide;methanol;1-methylpyrrolidine is sourced from PubChem (CID 142802070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).