N,1-dimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1-dimethylindole-3-carboxamide

C47H46N8O7S2 — CID 91122522

About N,1-dimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1-dimethylindole-3-carboxamide

N,1-dimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1-dimethylindole-3-carboxamide (PubChem CID 91122522) has the molecular formula C47H46N8O7S2 and a molecular weight of 899.07 g/mol. Its IUPAC name is N,1-dimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1-dimethylindole-3-carboxamide.

Molecular Properties

• Compound Name: N,1-dimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1-dimethylindole-3-carboxamide
• PubChem CID: 91122522
• Molecular Formula: C47H46N8O7S2
• Molecular Weight: 899.07 g/mol
• Exact Mass: 898.29
• IUPAC Name: N,1-dimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1-dimethylindole-3-carboxamide
• SMILES: CNC(=O)c1cn(C)c2cc(Oc3ccnc4cc(C(=O)N5CC[C@@H](C)C5)sc34)ccc12.CNC(=O)c1cn(C)c2cc(Oc3ccnc4cc(C(=O)N5CC[C@@H](O)C5)sc34)ccc12
• InChI: InChI=1S/C24H24N4O3S.C23H22N4O4S/c1-14-7-9-28(12-14)24(30)21-11-18-22(32-21)20(6-8-26-18)31-15-4-5-16-17(23(29)25-2)13-27(3)19(16)10-15;1-24-22(29)16-12-26(2)18-9-14(3-4-15(16)18)31-19-5-7-25-17-10-20(32-21(17)19)23(30)27-8-6-13(28)11-27/h4-6,8,10-11,13-14H,7,9,12H2,1-3H3,(H,25,29);3-5,7,9-10,12-13,28H,6,8,11H2,1-2H3,(H,24,29)/t14-;13-/m11/s1
• InChIKey: GMJHQBKKXGEQJM-YHDDXKOVSA-N
• XLogP: 7.57
• TPSA: 173.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	899.07
LogP ≤ 5	7.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1-dimethylindole-3-carboxamide?

The IUPAC name of N,1-dimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1-dimethylindole-3-carboxamide (CID 91122522) is N,1-dimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1-dimethylindole-3-carboxamide.

What is the SMILES notation for N,1-dimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1-dimethylindole-3-carboxamide?

The canonical SMILES for N,1-dimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1-dimethylindole-3-carboxamide is CNC(=O)c1cn(C)c2cc(Oc3ccnc4cc(C(=O)N5CC[C@@H](C)C5)sc34)ccc12.CNC(=O)c1cn(C)c2cc(Oc3ccnc4cc(C(=O)N5CC[C@@H](O)C5)sc34)ccc12.

What is the InChIKey of N,1-dimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1-dimethylindole-3-carboxamide?

The InChIKey is GMJHQBKKXGEQJM-YHDDXKOVSA-N. The full InChI is InChI=1S/C24H24N4O3S.C23H22N4O4S/c1-14-7-9-28(12-14)24(30)21-11-18-22(32-21)20(6-8-26-18)31-15-4-5-16-17(23(29)25-2)13-27(3)19(16)10-15;1-24-22(29)16-12-26(2)18-9-14(3-4-15(16)18)31-19-5-7-25-17-10-20(32-21(17)19)23(30)27-8-6-13(28)11-27/h4-6,8,10-11,13-14H,7,9,12H2,1-3H3,(H,25,29);3-5,7,9-10,12-13,28H,6,8,11H2,1-2H3,(H,24,29)/t14-;13-/m11/s1.

What are the key properties of N,1-dimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1-dimethylindole-3-carboxamide?

N,1-dimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1-dimethylindole-3-carboxamide has a molecular weight of 899.07 g/mol, XLogP of 7.57, 8 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N,1-dimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1-dimethylindole-3-carboxamide is sourced from PubChem (CID 91122522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).