3-fluoro-4-[2-(1-methylindol-5-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline

C22H16FN3OS — CID 141490421

IUPAC3-fluoro-4-[2-(1-methylindol-5-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline
SMILESCn1ccc2cc(-c3cc4nccc(Oc5ccc(N)cc5F)c4s3)ccc21
InChIInChI=1S/C22H16FN3OS/c1-26-9-7-13-10-14(2-4-18(13)26)21-12-17-22(28-21)20(6-8-25-17)27-19-5-3-15(24)11-16(19)23/h2-12H,24H2,1H3
InChIKeyRICIIUNCJSDHHG-UHFFFAOYSA-N
MW389.46 g/mol
LogP5.97
Rot. Bonds3

About 3-fluoro-4-[2-(1-methylindol-5-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline

3-fluoro-4-[2-(1-methylindol-5-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline (PubChem CID 141490421) has the molecular formula C22H16FN3OS and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-fluoro-4-[2-(1-methylindol-5-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline.

Molecular Properties

Compound Name3-fluoro-4-[2-(1-methylindol-5-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline
PubChem CID141490421
Molecular FormulaC22H16FN3OS
Molecular Weight389.46 g/mol
Exact Mass389.10
IUPAC Name3-fluoro-4-[2-(1-methylindol-5-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline
SMILESCn1ccc2cc(-c3cc4nccc(Oc5ccc(N)cc5F)c4s3)ccc21
InChIInChI=1S/C22H16FN3OS/c1-26-9-7-13-10-14(2-4-18(13)26)21-12-17-22(28-21)20(6-8-25-17)27-19-5-3-15(24)11-16(19)23/h2-12H,24H2,1H3
InChIKeyRICIIUNCJSDHHG-UHFFFAOYSA-N
XLogP5.97
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-[2-(3-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline
CID 59424431
3-fluoro-4-[2-[4-(pyrazol-1-ylmethyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyaniline
CID 67348260
3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyaniline
CID 67471953
7-(2-fluoro-4-methylphenoxy)-2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridine
CID 126590233
methyl 2-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazole-4-carboxylate
CID 59424445
tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]pyrazol-1-yl]ethyl]-N-methylcarbamate
CID 59457747
4-[2-[1-(2,2-diethoxyethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline
CID 67441620
7-(4-amino-2-fluorophenoxy)-N-methoxythieno[3,2-b]pyridine-2-sulfonamide
CID 89360799
7-(4-amino-2-fluorophenoxy)-N,N',N'-trimethylthieno[3,2-b]pyridine-2-carbohydrazide
CID 58790202
3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyaniline
CID 155679210
2-methoxyethyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]pyrazol-1-yl]ethyl]-N-tert-butylcarbamate
CID 140541186
[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 58474542

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[2-(1-methylindol-5-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline?
The IUPAC name of 3-fluoro-4-[2-(1-methylindol-5-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline (CID 141490421) is 3-fluoro-4-[2-(1-methylindol-5-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline.
What is the SMILES notation for 3-fluoro-4-[2-(1-methylindol-5-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline?
The canonical SMILES for 3-fluoro-4-[2-(1-methylindol-5-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline is Cn1ccc2cc(-c3cc4nccc(Oc5ccc(N)cc5F)c4s3)ccc21.
What is the InChIKey of 3-fluoro-4-[2-(1-methylindol-5-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline?
The InChIKey is RICIIUNCJSDHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3OS/c1-26-9-7-13-10-14(2-4-18(13)26)21-12-17-22(28-21)20(6-8-25-17)27-19-5-3-15(24)11-16(19)23/h2-12H,24H2,1H3.
What are the key properties of 3-fluoro-4-[2-(1-methylindol-5-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline?
3-fluoro-4-[2-(1-methylindol-5-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline has a molecular weight of 389.46 g/mol, XLogP of 5.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[2-(1-methylindol-5-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline is sourced from PubChem (CID 141490421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).