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

C21H15FN2O2S — CID 1002403

IUPAC[3-amino-6-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2sc3nc(-c4ccc(F)cc4)ccc3c2N)cc1
InChIInChI=1S/C21H15FN2O2S/c1-26-15-8-4-13(5-9-15)19(25)20-18(23)16-10-11-17(24-21(16)27-20)12-2-6-14(22)7-3-12/h2-11H,23H2,1H3
InChIKeyJVHWJZBFYCIMAN-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.92
Rot. Bonds4

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

[3-amino-6-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-(4-methoxyphenyl)methanone (PubChem CID 1002403) has the molecular formula C21H15FN2O2S and a molecular weight of 378.43 g/mol. Its IUPAC name is [3-amino-6-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3-amino-6-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-(4-methoxyphenyl)methanone
PubChem CID1002403
Molecular FormulaC21H15FN2O2S
Molecular Weight378.43 g/mol
Exact Mass378.08
IUPAC Name[3-amino-6-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2sc3nc(-c4ccc(F)cc4)ccc3c2N)cc1
InChIInChI=1S/C21H15FN2O2S/c1-26-15-8-4-13(5-9-15)19(25)20-18(23)16-10-11-17(24-21(16)27-20)12-2-6-14(22)7-3-12/h2-11H,23H2,1H3
InChIKeyJVHWJZBFYCIMAN-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-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [3-amino-6-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-(4-methoxyphenyl)methanone (CID 1002403) is [3-amino-6-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [3-amino-6-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [3-amino-6-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2sc3nc(-c4ccc(F)cc4)ccc3c2N)cc1.
What is the InChIKey of [3-amino-6-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-(4-methoxyphenyl)methanone?
The InChIKey is JVHWJZBFYCIMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O2S/c1-26-15-8-4-13(5-9-15)19(25)20-18(23)16-10-11-17(24-21(16)27-20)12-2-6-14(22)7-3-12/h2-11H,23H2,1H3.
What are the key properties of [3-amino-6-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-(4-methoxyphenyl)methanone?
[3-amino-6-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-(4-methoxyphenyl)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-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 1002403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).