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

C24H15FN2O2S — CID 1415611

IUPAC[3-amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone
SMILESNc1c(C(=O)c2ccc(F)cc2)sc2nc(-c3ccccc3)cc(-c3ccco3)c12
InChIInChI=1S/C24H15FN2O2S/c25-16-10-8-15(9-11-16)22(28)23-21(26)20-17(19-7-4-12-29-19)13-18(27-24(20)30-23)14-5-2-1-3-6-14/h1-13H,26H2
InChIKeyWEPIKUCVYNFQOY-UHFFFAOYSA-N
MW414.46 g/mol
LogP6.18
Rot. Bonds4

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

[3-amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone (PubChem CID 1415611) has the molecular formula C24H15FN2O2S and a molecular weight of 414.46 g/mol. Its IUPAC name is [3-amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone
PubChem CID1415611
Molecular FormulaC24H15FN2O2S
Molecular Weight414.46 g/mol
Exact Mass414.08
IUPAC Name[3-amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone
SMILESNc1c(C(=O)c2ccc(F)cc2)sc2nc(-c3ccccc3)cc(-c3ccco3)c12
InChIInChI=1S/C24H15FN2O2S/c25-16-10-8-15(9-11-16)22(28)23-21(26)20-17(19-7-4-12-29-19)13-18(27-24(20)30-23)14-5-2-1-3-6-14/h1-13H,26H2
InChIKeyWEPIKUCVYNFQOY-UHFFFAOYSA-N
XLogP6.18
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.46
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [3-amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone (CID 1415611) is [3-amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [3-amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [3-amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone is Nc1c(C(=O)c2ccc(F)cc2)sc2nc(-c3ccccc3)cc(-c3ccco3)c12.
What is the InChIKey of [3-amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone?
The InChIKey is WEPIKUCVYNFQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FN2O2S/c25-16-10-8-15(9-11-16)22(28)23-21(26)20-17(19-7-4-12-29-19)13-18(27-24(20)30-23)14-5-2-1-3-6-14/h1-13H,26H2.
What are the key properties of [3-amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone?
[3-amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone has a molecular weight of 414.46 g/mol, XLogP of 6.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 1415611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).