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

C17H13FN4OS — CID 59424431

IUPAC3-fluoro-4-[2-(3-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline
SMILESCn1cncc1-c1cc2nccc(Oc3ccc(N)cc3F)c2s1
InChIInChI=1S/C17H13FN4OS/c1-22-9-20-8-13(22)16-7-12-17(24-16)15(4-5-21-12)23-14-3-2-10(19)6-11(14)18/h2-9H,19H2,1H3
InChIKeyRDZMWVMJZRXGSF-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.21
Rot. Bonds3

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

3-fluoro-4-[2-(3-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline (PubChem CID 59424431) has the molecular formula C17H13FN4OS and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-fluoro-4-[2-(3-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline.

Molecular Properties

Compound Name3-fluoro-4-[2-(3-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline
PubChem CID59424431
Molecular FormulaC17H13FN4OS
Molecular Weight340.38 g/mol
Exact Mass340.08
IUPAC Name3-fluoro-4-[2-(3-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline
SMILESCn1cncc1-c1cc2nccc(Oc3ccc(N)cc3F)c2s1
InChIInChI=1S/C17H13FN4OS/c1-22-9-20-8-13(22)16-7-12-17(24-16)15(4-5-21-12)23-14-3-2-10(19)6-11(14)18/h2-9H,19H2,1H3
InChIKeyRDZMWVMJZRXGSF-UHFFFAOYSA-N
XLogP4.21
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-[2-(1-methylindol-5-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline
CID 141490421
3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyaniline
CID 67471953
methyl 2-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazole-4-carboxylate
CID 59424445
4-[2-[1-(2,2-diethoxyethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline
CID 67441620
7-(2-fluoro-4-methylphenoxy)-2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridine
CID 126590233
3-fluoro-4-[2-[4-(pyrazol-1-ylmethyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyaniline
CID 67348260
[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 58474542
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
4-[2-[4-(diethylamino)but-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline
CID 67348637
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
7-(4-amino-2-fluorophenoxy)-N-(3-methoxyphenyl)thieno[3,2-b]pyridin-2-amine
CID 59457737

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[2-(3-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline?
The IUPAC name of 3-fluoro-4-[2-(3-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline (CID 59424431) is 3-fluoro-4-[2-(3-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline.
What is the SMILES notation for 3-fluoro-4-[2-(3-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline?
The canonical SMILES for 3-fluoro-4-[2-(3-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline is Cn1cncc1-c1cc2nccc(Oc3ccc(N)cc3F)c2s1.
What is the InChIKey of 3-fluoro-4-[2-(3-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline?
The InChIKey is RDZMWVMJZRXGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4OS/c1-22-9-20-8-13(22)16-7-12-17(24-16)15(4-5-21-12)23-14-3-2-10(19)6-11(14)18/h2-9H,19H2,1H3.
What are the key properties of 3-fluoro-4-[2-(3-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline?
3-fluoro-4-[2-(3-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline has a molecular weight of 340.38 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[2-(3-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline is sourced from PubChem (CID 59424431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).