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

C25H26N4O4S — CID 10050758

IUPAC6-[2-(3-methoxypyrrolidine-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(OC)C5)sc34)ccc12
InChIInChI=1S/C25H26N4O4S/c1-14-22(24(30)26-2)17-6-5-15(11-19(17)28(14)3)33-20-7-9-27-18-12-21(34-23(18)20)25(31)29-10-8-16(13-29)32-4/h5-7,9,11-12,16H,8,10,13H2,1-4H3,(H,26,30)
InChIKeyZPKYFRRESRSBOE-UHFFFAOYSA-N
MW478.57 g/mol
LogP4.11
Rot. Bonds5

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

6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide (PubChem CID 10050758) has the molecular formula C25H26N4O4S and a molecular weight of 478.57 g/mol. Its IUPAC name is 6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide.

Molecular Properties

Compound Name6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide
PubChem CID10050758
Molecular FormulaC25H26N4O4S
Molecular Weight478.57 g/mol
Exact Mass478.17
IUPAC Name6-[2-(3-methoxypyrrolidine-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(OC)C5)sc34)ccc12
InChIInChI=1S/C25H26N4O4S/c1-14-22(24(30)26-2)17-6-5-15(11-19(17)28(14)3)33-20-7-9-27-18-12-21(34-23(18)20)25(31)29-10-8-16(13-29)32-4/h5-7,9,11-12,16H,8,10,13H2,1-4H3,(H,26,30)
InChIKeyZPKYFRRESRSBOE-UHFFFAOYSA-N
XLogP4.11
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide?
The IUPAC name of 6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide (CID 10050758) is 6-[2-(3-methoxypyrrolidine-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-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide?
The canonical SMILES for 6-[2-(3-methoxypyrrolidine-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(OC)C5)sc34)ccc12.
What is the InChIKey of 6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide?
The InChIKey is ZPKYFRRESRSBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4S/c1-14-22(24(30)26-2)17-6-5-15(11-19(17)28(14)3)33-20-7-9-27-18-12-21(34-23(18)20)25(31)29-10-8-16(13-29)32-4/h5-7,9,11-12,16H,8,10,13H2,1-4H3,(H,26,30).
What are the key properties of 6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide?
6-[2-(3-methoxypyrrolidine-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 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide is sourced from PubChem (CID 10050758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).