[7-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-b]pyridin-2-yl]-(furan-2-yl)methanone

C19H13FN2O2S — CID 68695543

IUPAC[7-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-b]pyridin-2-yl]-(furan-2-yl)methanone
SMILESNc1ccc(Cc2ccnc3cc(C(=O)c4ccco4)sc23)c(F)c1
InChIInChI=1S/C19H13FN2O2S/c20-14-9-13(21)4-3-11(14)8-12-5-6-22-15-10-17(25-19(12)15)18(23)16-2-1-7-24-16/h1-7,9-10H,8,21H2
InChIKeyABTWGHYQMMZCGU-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.43
Rot. Bonds4

About [7-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-b]pyridin-2-yl]-(furan-2-yl)methanone

[7-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-b]pyridin-2-yl]-(furan-2-yl)methanone (PubChem CID 68695543) has the molecular formula C19H13FN2O2S and a molecular weight of 352.39 g/mol. Its IUPAC name is [7-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-b]pyridin-2-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[7-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-b]pyridin-2-yl]-(furan-2-yl)methanone
PubChem CID68695543
Molecular FormulaC19H13FN2O2S
Molecular Weight352.39 g/mol
Exact Mass352.07
IUPAC Name[7-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-b]pyridin-2-yl]-(furan-2-yl)methanone
SMILESNc1ccc(Cc2ccnc3cc(C(=O)c4ccco4)sc23)c(F)c1
InChIInChI=1S/C19H13FN2O2S/c20-14-9-13(21)4-3-11(14)8-12-5-6-22-15-10-17(25-19(12)15)18(23)16-2-1-7-24-16/h1-7,9-10H,8,21H2
InChIKeyABTWGHYQMMZCGU-UHFFFAOYSA-N
XLogP4.43
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [7-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-b]pyridin-2-yl]-(furan-2-yl)methanone?
The IUPAC name of [7-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-b]pyridin-2-yl]-(furan-2-yl)methanone (CID 68695543) is [7-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-b]pyridin-2-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [7-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-b]pyridin-2-yl]-(furan-2-yl)methanone?
The canonical SMILES for [7-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-b]pyridin-2-yl]-(furan-2-yl)methanone is Nc1ccc(Cc2ccnc3cc(C(=O)c4ccco4)sc23)c(F)c1.
What is the InChIKey of [7-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-b]pyridin-2-yl]-(furan-2-yl)methanone?
The InChIKey is ABTWGHYQMMZCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O2S/c20-14-9-13(21)4-3-11(14)8-12-5-6-22-15-10-17(25-19(12)15)18(23)16-2-1-7-24-16/h1-7,9-10H,8,21H2.
What are the key properties of [7-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-b]pyridin-2-yl]-(furan-2-yl)methanone?
[7-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-b]pyridin-2-yl]-(furan-2-yl)methanone has a molecular weight of 352.39 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-b]pyridin-2-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 68695543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).