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

C26H17FN2OS — CID 5230190

IUPAC[3-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridin-2-yl]-phenylmethanone
SMILESNc1c(C(=O)c2ccccc2)sc2nc(-c3ccc(F)cc3)cc(-c3ccccc3)c12
InChIInChI=1S/C26H17FN2OS/c27-19-13-11-17(12-14-19)21-15-20(16-7-3-1-4-8-16)22-23(28)25(31-26(22)29-21)24(30)18-9-5-2-6-10-18/h1-15H,28H2
InChIKeyYUYVVVNSIHLMJW-UHFFFAOYSA-N
MW424.50 g/mol
LogP6.58
Rot. Bonds4

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

[3-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridin-2-yl]-phenylmethanone (PubChem CID 5230190) has the molecular formula C26H17FN2OS and a molecular weight of 424.50 g/mol. Its IUPAC name is [3-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridin-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridin-2-yl]-phenylmethanone
PubChem CID5230190
Molecular FormulaC26H17FN2OS
Molecular Weight424.50 g/mol
Exact Mass424.10
IUPAC Name[3-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridin-2-yl]-phenylmethanone
SMILESNc1c(C(=O)c2ccccc2)sc2nc(-c3ccc(F)cc3)cc(-c3ccccc3)c12
InChIInChI=1S/C26H17FN2OS/c27-19-13-11-17(12-14-19)21-15-20(16-7-3-1-4-8-16)22-23(28)25(31-26(22)29-21)24(30)18-9-5-2-6-10-18/h1-15H,28H2
InChIKeyYUYVVVNSIHLMJW-UHFFFAOYSA-N
XLogP6.58
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridin-2-yl]-phenylmethanone?
The IUPAC name of [3-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridin-2-yl]-phenylmethanone (CID 5230190) is [3-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridin-2-yl]-phenylmethanone.
What is the SMILES notation for [3-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridin-2-yl]-phenylmethanone?
The canonical SMILES for [3-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridin-2-yl]-phenylmethanone is Nc1c(C(=O)c2ccccc2)sc2nc(-c3ccc(F)cc3)cc(-c3ccccc3)c12.
What is the InChIKey of [3-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridin-2-yl]-phenylmethanone?
The InChIKey is YUYVVVNSIHLMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17FN2OS/c27-19-13-11-17(12-14-19)21-15-20(16-7-3-1-4-8-16)22-23(28)25(31-26(22)29-21)24(30)18-9-5-2-6-10-18/h1-15H,28H2.
What are the key properties of [3-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridin-2-yl]-phenylmethanone?
[3-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridin-2-yl]-phenylmethanone has a molecular weight of 424.50 g/mol, XLogP of 6.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridin-2-yl]-phenylmethanone is sourced from PubChem (CID 5230190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).