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

C24H24N4O4S — CID 10095985

IUPAC6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1-dimethylindole-3-carboxamide
SMILESCNC(=O)c1cn(C)c2cc(Oc3ccnc4cc(C(=O)N5CCC(OC)C5)sc34)ccc12
InChIInChI=1S/C24H24N4O4S/c1-25-23(29)17-13-27(2)19-10-14(4-5-16(17)19)32-20-6-8-26-18-11-21(33-22(18)20)24(30)28-9-7-15(12-28)31-3/h4-6,8,10-11,13,15H,7,9,12H2,1-3H3,(H,25,29)
InChIKeyLVJCPNGUASRZQF-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.80
Rot. Bonds5

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

6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1-dimethylindole-3-carboxamide (PubChem CID 10095985) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is 6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1-dimethylindole-3-carboxamide.

Molecular Properties

Compound Name6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1-dimethylindole-3-carboxamide
PubChem CID10095985
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC Name6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1-dimethylindole-3-carboxamide
SMILESCNC(=O)c1cn(C)c2cc(Oc3ccnc4cc(C(=O)N5CCC(OC)C5)sc34)ccc12
InChIInChI=1S/C24H24N4O4S/c1-25-23(29)17-13-27(2)19-10-14(4-5-16(17)19)32-20-6-8-26-18-11-21(33-22(18)20)24(30)28-9-7-15(12-28)31-3/h4-6,8,10-11,13,15H,7,9,12H2,1-3H3,(H,25,29)
InChIKeyLVJCPNGUASRZQF-UHFFFAOYSA-N
XLogP3.80
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.80
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-dimethylindole-3-carboxamide?
The IUPAC name of 6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1-dimethylindole-3-carboxamide (CID 10095985) is 6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1-dimethylindole-3-carboxamide.
What is the SMILES notation for 6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1-dimethylindole-3-carboxamide?
The canonical SMILES for 6-[2-(3-methoxypyrrolidine-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(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-dimethylindole-3-carboxamide?
The InChIKey is LVJCPNGUASRZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-25-23(29)17-13-27(2)19-10-14(4-5-16(17)19)32-20-6-8-26-18-11-21(33-22(18)20)24(30)28-9-7-15(12-28)31-3/h4-6,8,10-11,13,15H,7,9,12H2,1-3H3,(H,25,29).
What are the key properties of 6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1-dimethylindole-3-carboxamide?
6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1-dimethylindole-3-carboxamide has a molecular weight of 464.55 g/mol, XLogP of 3.80, 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-dimethylindole-3-carboxamide is sourced from PubChem (CID 10095985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).