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

C23H22N4O4S — CID 10433902

IUPAC6-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1-dimethylindole-3-carboxamide
SMILESCNC(=O)c1cn(C)c2cc(Oc3ccnc4cc(C(=O)N5CCC(O)C5)sc34)ccc12
InChIInChI=1S/C23H22N4O4S/c1-24-22(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/h3-5,7,9-10,12-13,28H,6,8,11H2,1-2H3,(H,24,29)
InChIKeyYTTULRAJXYMOQE-UHFFFAOYSA-N
MW450.52 g/mol
LogP3.15
Rot. Bonds4

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

6-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1-dimethylindole-3-carboxamide (PubChem CID 10433902) has the molecular formula C23H22N4O4S and a molecular weight of 450.52 g/mol. Its IUPAC name is 6-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1-dimethylindole-3-carboxamide.

Molecular Properties

Compound Name6-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1-dimethylindole-3-carboxamide
PubChem CID10433902
Molecular FormulaC23H22N4O4S
Molecular Weight450.52 g/mol
Exact Mass450.14
IUPAC Name6-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1-dimethylindole-3-carboxamide
SMILESCNC(=O)c1cn(C)c2cc(Oc3ccnc4cc(C(=O)N5CCC(O)C5)sc34)ccc12
InChIInChI=1S/C23H22N4O4S/c1-24-22(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/h3-5,7,9-10,12-13,28H,6,8,11H2,1-2H3,(H,24,29)
InChIKeyYTTULRAJXYMOQE-UHFFFAOYSA-N
XLogP3.15
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1-dimethylindole-3-carboxamide?
The IUPAC name of 6-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1-dimethylindole-3-carboxamide (CID 10433902) is 6-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1-dimethylindole-3-carboxamide.
What is the SMILES notation for 6-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1-dimethylindole-3-carboxamide?
The canonical SMILES for 6-[2-(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)N5CCC(O)C5)sc34)ccc12.
What is the InChIKey of 6-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1-dimethylindole-3-carboxamide?
The InChIKey is YTTULRAJXYMOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S/c1-24-22(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/h3-5,7,9-10,12-13,28H,6,8,11H2,1-2H3,(H,24,29).
What are the key properties of 6-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1-dimethylindole-3-carboxamide?
6-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1-dimethylindole-3-carboxamide has a molecular weight of 450.52 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1-dimethylindole-3-carboxamide is sourced from PubChem (CID 10433902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).