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

C24H24N4O4S — CID 10050103

IUPAC6-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide
SMILESCNC(=O)c1c(C)n(C)c2cc(Oc3ccnc4cc(C(=O)N5CCC(O)C5)sc34)ccc12
InChIInChI=1S/C24H24N4O4S/c1-13-21(23(30)25-2)16-5-4-15(10-18(16)27(13)3)32-19-6-8-26-17-11-20(33-22(17)19)24(31)28-9-7-14(29)12-28/h4-6,8,10-11,14,29H,7,9,12H2,1-3H3,(H,25,30)
InChIKeyZEOXXZRILKIKRK-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.46
Rot. Bonds4

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

6-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide (PubChem CID 10050103) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is 6-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide.

Molecular Properties

Compound Name6-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide
PubChem CID10050103
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC Name6-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide
SMILESCNC(=O)c1c(C)n(C)c2cc(Oc3ccnc4cc(C(=O)N5CCC(O)C5)sc34)ccc12
InChIInChI=1S/C24H24N4O4S/c1-13-21(23(30)25-2)16-5-4-15(10-18(16)27(13)3)32-19-6-8-26-17-11-20(33-22(17)19)24(31)28-9-7-14(29)12-28/h4-6,8,10-11,14,29H,7,9,12H2,1-3H3,(H,25,30)
InChIKeyZEOXXZRILKIKRK-UHFFFAOYSA-N
XLogP3.46
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.46
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,1,2-trimethylindole-3-carboxamide?
The IUPAC name of 6-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide (CID 10050103) is 6-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide.
What is the SMILES notation for 6-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide?
The canonical SMILES for 6-[2-(3-hydroxypyrrolidine-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(O)C5)sc34)ccc12.
What is the InChIKey of 6-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide?
The InChIKey is ZEOXXZRILKIKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-13-21(23(30)25-2)16-5-4-15(10-18(16)27(13)3)32-19-6-8-26-17-11-20(33-22(17)19)24(31)28-9-7-14(29)12-28/h4-6,8,10-11,14,29H,7,9,12H2,1-3H3,(H,25,30).
What are the key properties of 6-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide?
6-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide has a molecular weight of 464.55 g/mol, XLogP of 3.46, 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,1,2-trimethylindole-3-carboxamide is sourced from PubChem (CID 10050103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).