[3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone

C21H15FN2O2S — CID 1003924

IUPAC[3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone
SMILESCOc1cccc(-c2ccc3c(N)c(C(=O)c4ccc(F)cc4)sc3n2)c1
InChIInChI=1S/C21H15FN2O2S/c1-26-15-4-2-3-13(11-15)17-10-9-16-18(23)20(27-21(16)24-17)19(25)12-5-7-14(22)8-6-12/h2-11H,23H2,1H3
InChIKeyRAOLAHKXHHZRKI-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.92
Rot. Bonds4

About [3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone

[3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone (PubChem CID 1003924) has the molecular formula C21H15FN2O2S and a molecular weight of 378.43 g/mol. Its IUPAC name is [3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone
PubChem CID1003924
Molecular FormulaC21H15FN2O2S
Molecular Weight378.43 g/mol
Exact Mass378.08
IUPAC Name[3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone
SMILESCOc1cccc(-c2ccc3c(N)c(C(=O)c4ccc(F)cc4)sc3n2)c1
InChIInChI=1S/C21H15FN2O2S/c1-26-15-4-2-3-13(11-15)17-10-9-16-18(23)20(27-21(16)24-17)19(25)12-5-7-14(22)8-6-12/h2-11H,23H2,1H3
InChIKeyRAOLAHKXHHZRKI-UHFFFAOYSA-N
XLogP4.92
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone (CID 1003924) is [3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone is COc1cccc(-c2ccc3c(N)c(C(=O)c4ccc(F)cc4)sc3n2)c1.
What is the InChIKey of [3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone?
The InChIKey is RAOLAHKXHHZRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O2S/c1-26-15-4-2-3-13(11-15)17-10-9-16-18(23)20(27-21(16)24-17)19(25)12-5-7-14(22)8-6-12/h2-11H,23H2,1H3.
What are the key properties of [3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone?
[3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone has a molecular weight of 378.43 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 1003924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).