2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(5-thiophen-2-ylfuran-2-yl)pyrimidin-4-amine

C18H11FN6OS — CID 135218258

IUPAC2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(5-thiophen-2-ylfuran-2-yl)pyrimidin-4-amine
SMILESNc1cc(-c2ccc(-c3cccs3)o2)nc(-c2[nH]nc3ncc(F)cc23)n1
InChIInChI=1S/C18H11FN6OS/c19-9-6-10-16(24-25-17(10)21-8-9)18-22-11(7-15(20)23-18)12-3-4-13(26-12)14-2-1-5-27-14/h1-8H,(H2,20,22,23)(H,21,24,25)
InChIKeyIERQBMGTLKNKLG-UHFFFAOYSA-N
MW378.39 g/mol
LogP4.12
Rot. Bonds3

About 2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(5-thiophen-2-ylfuran-2-yl)pyrimidin-4-amine

2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(5-thiophen-2-ylfuran-2-yl)pyrimidin-4-amine (PubChem CID 135218258) has the molecular formula C18H11FN6OS and a molecular weight of 378.39 g/mol. Its IUPAC name is 2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(5-thiophen-2-ylfuran-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(5-thiophen-2-ylfuran-2-yl)pyrimidin-4-amine
PubChem CID135218258
Molecular FormulaC18H11FN6OS
Molecular Weight378.39 g/mol
Exact Mass378.07
IUPAC Name2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(5-thiophen-2-ylfuran-2-yl)pyrimidin-4-amine
SMILESNc1cc(-c2ccc(-c3cccs3)o2)nc(-c2[nH]nc3ncc(F)cc23)n1
InChIInChI=1S/C18H11FN6OS/c19-9-6-10-16(24-25-17(10)21-8-9)18-22-11(7-15(20)23-18)12-3-4-13(26-12)14-2-1-5-27-14/h1-8H,(H2,20,22,23)(H,21,24,25)
InChIKeyIERQBMGTLKNKLG-UHFFFAOYSA-N
XLogP4.12
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(5-thiophen-2-ylfuran-2-yl)pyrimidin-4-amine?
The IUPAC name of 2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(5-thiophen-2-ylfuran-2-yl)pyrimidin-4-amine (CID 135218258) is 2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(5-thiophen-2-ylfuran-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(5-thiophen-2-ylfuran-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(5-thiophen-2-ylfuran-2-yl)pyrimidin-4-amine is Nc1cc(-c2ccc(-c3cccs3)o2)nc(-c2[nH]nc3ncc(F)cc23)n1.
What is the InChIKey of 2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(5-thiophen-2-ylfuran-2-yl)pyrimidin-4-amine?
The InChIKey is IERQBMGTLKNKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN6OS/c19-9-6-10-16(24-25-17(10)21-8-9)18-22-11(7-15(20)23-18)12-3-4-13(26-12)14-2-1-5-27-14/h1-8H,(H2,20,22,23)(H,21,24,25).
What are the key properties of 2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(5-thiophen-2-ylfuran-2-yl)pyrimidin-4-amine?
2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(5-thiophen-2-ylfuran-2-yl)pyrimidin-4-amine has a molecular weight of 378.39 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(5-thiophen-2-ylfuran-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 135218258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).