6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-1,2-dimethyl-2,3-dihydroindole-3-carboxylic acid

C22H21N3O4S — CID 22143674

IUPAC6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-1,2-dimethyl-2,3-dihydroindole-3-carboxylic acid
SMILESCC1C(C(=O)O)c2ccc(Oc3ccnc4cc(C(=O)N5CCC5)sc34)cc2N1C
InChIInChI=1S/C22H21N3O4S/c1-12-19(22(27)28)14-5-4-13(10-16(14)24(12)2)29-17-6-7-23-15-11-18(30-20(15)17)21(26)25-8-3-9-25/h4-7,10-12,19H,3,8-9H2,1-2H3,(H,27,28)
InChIKeyDVTFSYHTGIVPBG-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.94
Rot. Bonds4

About 6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-1,2-dimethyl-2,3-dihydroindole-3-carboxylic acid

6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-1,2-dimethyl-2,3-dihydroindole-3-carboxylic acid (PubChem CID 22143674) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is 6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-1,2-dimethyl-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-1,2-dimethyl-2,3-dihydroindole-3-carboxylic acid
PubChem CID22143674
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC Name6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-1,2-dimethyl-2,3-dihydroindole-3-carboxylic acid
SMILESCC1C(C(=O)O)c2ccc(Oc3ccnc4cc(C(=O)N5CCC5)sc34)cc2N1C
InChIInChI=1S/C22H21N3O4S/c1-12-19(22(27)28)14-5-4-13(10-16(14)24(12)2)29-17-6-7-23-15-11-18(30-20(15)17)21(26)25-8-3-9-25/h4-7,10-12,19H,3,8-9H2,1-2H3,(H,27,28)
InChIKeyDVTFSYHTGIVPBG-UHFFFAOYSA-N
XLogP3.94
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-1,2-dimethyl-2,3-dihydroindole-3-carboxylic acid with MolForge

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Related Compounds

azetidin-1-yl-(7-phenoxythieno[3,2-b]pyridin-2-yl)methanone
CID 91328834
N,1,2-trimethyl-6-[2-(pyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide
CID 20767885
(1-carbamoylcycloprop-2-en-1-yl) 6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxylate
CID 90738790
6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide
CID 11489216
2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-(6-methoxy-3-pyridinyl)acetamide
CID 18456607
N-cyclopropyl-6-[2-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxynaphthalene-1-carboxamide
CID 11237366
2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-(1,3-benzothiazol-6-yl)acetamide
CID 18456609
2-[4-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methylacetamide
CID 18456628
[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 58474542
1-[2-ethyl-6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-yl]propan-1-one
CID 23572867
6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide
CID 10050758
[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 59424552

Frequently Asked Questions

What is the IUPAC name of 6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-1,2-dimethyl-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-1,2-dimethyl-2,3-dihydroindole-3-carboxylic acid (CID 22143674) is 6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-1,2-dimethyl-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-1,2-dimethyl-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-1,2-dimethyl-2,3-dihydroindole-3-carboxylic acid is CC1C(C(=O)O)c2ccc(Oc3ccnc4cc(C(=O)N5CCC5)sc34)cc2N1C.
What is the InChIKey of 6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-1,2-dimethyl-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is DVTFSYHTGIVPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S/c1-12-19(22(27)28)14-5-4-13(10-16(14)24(12)2)29-17-6-7-23-15-11-18(30-20(15)17)21(26)25-8-3-9-25/h4-7,10-12,19H,3,8-9H2,1-2H3,(H,27,28).
What are the key properties of 6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-1,2-dimethyl-2,3-dihydroindole-3-carboxylic acid?
6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-1,2-dimethyl-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 423.49 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-1,2-dimethyl-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 22143674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).