7-(4-amino-2-fluorophenoxy)-N-(3-methoxyphenyl)thieno[3,2-b]pyridin-2-amine

C20H16FN3O2S — CID 59457737

IUPAC7-(4-amino-2-fluorophenoxy)-N-(3-methoxyphenyl)thieno[3,2-b]pyridin-2-amine
SMILESCOc1cccc(Nc2cc3nccc(Oc4ccc(N)cc4F)c3s2)c1
InChIInChI=1S/C20H16FN3O2S/c1-25-14-4-2-3-13(10-14)24-19-11-16-20(27-19)18(7-8-23-16)26-17-6-5-12(22)9-15(17)21/h2-11,24H,22H2,1H3
InChIKeyDQRXNPIGWYMKBX-UHFFFAOYSA-N
MW381.43 g/mol
LogP5.56
Rot. Bonds5

About 7-(4-amino-2-fluorophenoxy)-N-(3-methoxyphenyl)thieno[3,2-b]pyridin-2-amine

7-(4-amino-2-fluorophenoxy)-N-(3-methoxyphenyl)thieno[3,2-b]pyridin-2-amine (PubChem CID 59457737) has the molecular formula C20H16FN3O2S and a molecular weight of 381.43 g/mol. Its IUPAC name is 7-(4-amino-2-fluorophenoxy)-N-(3-methoxyphenyl)thieno[3,2-b]pyridin-2-amine.

Molecular Properties

Compound Name7-(4-amino-2-fluorophenoxy)-N-(3-methoxyphenyl)thieno[3,2-b]pyridin-2-amine
PubChem CID59457737
Molecular FormulaC20H16FN3O2S
Molecular Weight381.43 g/mol
Exact Mass381.09
IUPAC Name7-(4-amino-2-fluorophenoxy)-N-(3-methoxyphenyl)thieno[3,2-b]pyridin-2-amine
SMILESCOc1cccc(Nc2cc3nccc(Oc4ccc(N)cc4F)c3s2)c1
InChIInChI=1S/C20H16FN3O2S/c1-25-14-4-2-3-13(10-14)24-19-11-16-20(27-19)18(7-8-23-16)26-17-6-5-12(22)9-15(17)21/h2-11,24H,22H2,1H3
InChIKeyDQRXNPIGWYMKBX-UHFFFAOYSA-N
XLogP5.56
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.43
LogP ≤ 55.56
H-Bond Donors ≤ 52
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-methylthieno[3,2-b]pyridin-7-yl)oxyaniline
CID 67471953
7-(4-amino-2-fluorophenoxy)-N-methoxythieno[3,2-b]pyridine-2-sulfonamide
CID 89360799
3-fluoro-4-[2-(3-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline
CID 59424431
7-(4-amino-2-fluorophenoxy)-N,N',N'-trimethylthieno[3,2-b]pyridine-2-carbohydrazide
CID 58790202
methyl 2-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazole-4-carboxylate
CID 59424445
3-fluoro-4-[2-[4-(pyrazol-1-ylmethyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyaniline
CID 67348260
3-fluoro-4-[2-(1-methylindol-5-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline
CID 141490421
[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 58474542
4-[2-[4-(diethylamino)but-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline
CID 67348637
4-(4-amino-2-fluorophenoxy)-7-methoxyquinolin-6-ol
CID 67522286
4-[2-[1-(2,2-diethoxyethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline
CID 67441620
4-(2-tert-butyl-4-methoxyphenoxy)-3-fluoroaniline
CID 28972699

Frequently Asked Questions

What is the IUPAC name of 7-(4-amino-2-fluorophenoxy)-N-(3-methoxyphenyl)thieno[3,2-b]pyridin-2-amine?
The IUPAC name of 7-(4-amino-2-fluorophenoxy)-N-(3-methoxyphenyl)thieno[3,2-b]pyridin-2-amine (CID 59457737) is 7-(4-amino-2-fluorophenoxy)-N-(3-methoxyphenyl)thieno[3,2-b]pyridin-2-amine.
What is the SMILES notation for 7-(4-amino-2-fluorophenoxy)-N-(3-methoxyphenyl)thieno[3,2-b]pyridin-2-amine?
The canonical SMILES for 7-(4-amino-2-fluorophenoxy)-N-(3-methoxyphenyl)thieno[3,2-b]pyridin-2-amine is COc1cccc(Nc2cc3nccc(Oc4ccc(N)cc4F)c3s2)c1.
What is the InChIKey of 7-(4-amino-2-fluorophenoxy)-N-(3-methoxyphenyl)thieno[3,2-b]pyridin-2-amine?
The InChIKey is DQRXNPIGWYMKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2S/c1-25-14-4-2-3-13(10-14)24-19-11-16-20(27-19)18(7-8-23-16)26-17-6-5-12(22)9-15(17)21/h2-11,24H,22H2,1H3.
What are the key properties of 7-(4-amino-2-fluorophenoxy)-N-(3-methoxyphenyl)thieno[3,2-b]pyridin-2-amine?
7-(4-amino-2-fluorophenoxy)-N-(3-methoxyphenyl)thieno[3,2-b]pyridin-2-amine has a molecular weight of 381.43 g/mol, XLogP of 5.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-amino-2-fluorophenoxy)-N-(3-methoxyphenyl)thieno[3,2-b]pyridin-2-amine is sourced from PubChem (CID 59457737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).