6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide

C25H26N4O4S — CID 59990764

About 6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide

6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide (PubChem CID 59990764) has the molecular formula C25H26N4O4S and a molecular weight of 478.57 g/mol. Its IUPAC name is 6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide.

Molecular Properties

• Compound Name: 6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide
• PubChem CID: 59990764
• Molecular Formula: C25H26N4O4S
• Molecular Weight: 478.57 g/mol
• Exact Mass: 478.17
• IUPAC Name: 6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide
• SMILES: CNC(=O)c1c(C)n(C)c2cc(Oc3ccnc4cc(C(=O)N5CCC[C@H]5CO)sc34)ccc12
• InChI: InChI=1S/C25H26N4O4S/c1-14-22(24(31)26-2)17-7-6-16(11-19(17)28(14)3)33-20-8-9-27-18-12-21(34-23(18)20)25(32)29-10-4-5-15(29)13-30/h6-9,11-12,15,30H,4-5,10,13H2,1-3H3,(H,26,31)/t15-/m0/s1
• InChIKey: XACOPEGPFNDTFU-HNNXBMFYSA-N
• XLogP: 3.85
• TPSA: 96.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.57
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide?

The IUPAC name of 6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide (CID 59990764) is 6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide.

What is the SMILES notation for 6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide?

The canonical SMILES for 6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide is CNC(=O)c1c(C)n(C)c2cc(Oc3ccnc4cc(C(=O)N5CCC[C@H]5CO)sc34)ccc12.

What is the InChIKey of 6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide?

The InChIKey is XACOPEGPFNDTFU-HNNXBMFYSA-N. The full InChI is InChI=1S/C25H26N4O4S/c1-14-22(24(31)26-2)17-7-6-16(11-19(17)28(14)3)33-20-8-9-27-18-12-21(34-23(18)20)25(32)29-10-4-5-15(29)13-30/h6-9,11-12,15,30H,4-5,10,13H2,1-3H3,(H,26,31)/t15-/m0/s1.

What are the key properties of 6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide?

6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide has a molecular weight of 478.57 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide is sourced from PubChem (CID 59990764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).