2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-amine

C15H10FN5O — CID 129228763

IUPAC2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-amine
SMILESNc1cc(-c2ccco2)nc(-c2c[nH]c3ncc(F)cc23)n1
InChIInChI=1S/C15H10FN5O/c16-8-4-9-10(7-19-14(9)18-6-8)15-20-11(5-13(17)21-15)12-2-1-3-22-12/h1-7H,(H,18,19)(H2,17,20,21)
InChIKeyVBLWCBWFGMWXIF-UHFFFAOYSA-N
MW295.28 g/mol
LogP3.00
Rot. Bonds2

About 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-amine

2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-amine (PubChem CID 129228763) has the molecular formula C15H10FN5O and a molecular weight of 295.28 g/mol. Its IUPAC name is 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-amine
PubChem CID129228763
Molecular FormulaC15H10FN5O
Molecular Weight295.28 g/mol
Exact Mass295.09
IUPAC Name2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-amine
SMILESNc1cc(-c2ccco2)nc(-c2c[nH]c3ncc(F)cc23)n1
InChIInChI=1S/C15H10FN5O/c16-8-4-9-10(7-19-14(9)18-6-8)15-20-11(5-13(17)21-15)12-2-1-3-22-12/h1-7H,(H,18,19)(H2,17,20,21)
InChIKeyVBLWCBWFGMWXIF-UHFFFAOYSA-N
XLogP3.00
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-amine?
The IUPAC name of 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-amine (CID 129228763) is 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-amine is Nc1cc(-c2ccco2)nc(-c2c[nH]c3ncc(F)cc23)n1.
What is the InChIKey of 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-amine?
The InChIKey is VBLWCBWFGMWXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN5O/c16-8-4-9-10(7-19-14(9)18-6-8)15-20-11(5-13(17)21-15)12-2-1-3-22-12/h1-7H,(H,18,19)(H2,17,20,21).
What are the key properties of 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-amine?
2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-amine has a molecular weight of 295.28 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 129228763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).