5-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide

C22H20N4O4S — CID 20746036

IUPAC5-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
SMILESCNC(=O)n1c(C)cc2cc(Oc3ccnc4cc(C(=O)N5CC(O)C5)sc34)ccc21
InChIInChI=1S/C22H20N4O4S/c1-12-7-13-8-15(3-4-17(13)26(12)22(29)23-2)30-18-5-6-24-16-9-19(31-20(16)18)21(28)25-10-14(27)11-25/h3-9,14,27H,10-11H2,1-2H3,(H,23,29)
InChIKeyQSPNVKCIQRXLME-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.36
Rot. Bonds3

About 5-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide

5-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide (PubChem CID 20746036) has the molecular formula C22H20N4O4S and a molecular weight of 436.49 g/mol. Its IUPAC name is 5-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide.

Molecular Properties

Compound Name5-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
PubChem CID20746036
Molecular FormulaC22H20N4O4S
Molecular Weight436.49 g/mol
Exact Mass436.12
IUPAC Name5-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
SMILESCNC(=O)n1c(C)cc2cc(Oc3ccnc4cc(C(=O)N5CC(O)C5)sc34)ccc21
InChIInChI=1S/C22H20N4O4S/c1-12-7-13-8-15(3-4-17(13)26(12)22(29)23-2)30-18-5-6-24-16-9-19(31-20(16)18)21(28)25-10-14(27)11-25/h3-9,14,27H,10-11H2,1-2H3,(H,23,29)
InChIKeyQSPNVKCIQRXLME-UHFFFAOYSA-N
XLogP3.36
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
CID 10288344
5-[2-(3-hydroxy-4-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
CID 20746035
N-cyclopropyl-5-[2-(3,4-dihydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide
CID 20746097
N-cyclopropyl-5-[2-(3,4-dimethoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide
CID 20746099
N-(3-hydroxypropyl)-5-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide
CID 20746080
5-[[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]amino]-N,2-dimethylindole-1-carboxamide
CID 20746038
[5-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carbonyl]-prop-2-ynylazanium
CID 142802089
N-cyclopropyl-5-[2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide;N-(4-hydroxybut-2-ynyl)-5-[2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide;5-[2-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide;5-[2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-N-prop-2-ynylindole-1-carboxamide;5-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
CID 158215569
4-fluoro-5-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
CID 20746006
7-[1-(cyanomethylcarbamoyl)-2-methylindol-5-yl]oxy-N-ethyl-N-propylthieno[3,2-b]pyridine-2-carboxamide
CID 142802145
N-(cyclopropylmethyl)-6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-1,2-dimethylindole-3-carboxamide
CID 59990795
5-(2-formylthieno[3,2-b]pyridin-7-yl)oxy-N-hex-2-ynyl-2-methylindole-1-carboxamide;methanol;1-methylpyrrolidine
CID 142802070

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide?
The IUPAC name of 5-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide (CID 20746036) is 5-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide.
What is the SMILES notation for 5-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide?
The canonical SMILES for 5-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide is CNC(=O)n1c(C)cc2cc(Oc3ccnc4cc(C(=O)N5CC(O)C5)sc34)ccc21.
What is the InChIKey of 5-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide?
The InChIKey is QSPNVKCIQRXLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4S/c1-12-7-13-8-15(3-4-17(13)26(12)22(29)23-2)30-18-5-6-24-16-9-19(31-20(16)18)21(28)25-10-14(27)11-25/h3-9,14,27H,10-11H2,1-2H3,(H,23,29).
What are the key properties of 5-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide?
5-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide is sourced from PubChem (CID 20746036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).