2-[8-amino-2-(2-fluoro-4-pyridinyl)-1,7-naphthyridin-5-yl]propan-2-ol

C16H15FN4O — CID 139592531

IUPAC2-[8-amino-2-(2-fluoro-4-pyridinyl)-1,7-naphthyridin-5-yl]propan-2-ol
SMILESCC(C)(O)c1cnc(N)c2nc(-c3ccnc(F)c3)ccc12
InChIInChI=1S/C16H15FN4O/c1-16(2,22)11-8-20-15(18)14-10(11)3-4-12(21-14)9-5-6-19-13(17)7-9/h3-8,22H,1-2H3,(H2,18,20)
InChIKeyXVUSMHCLFMFBQR-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.64
Rot. Bonds2

About 2-[8-amino-2-(2-fluoro-4-pyridinyl)-1,7-naphthyridin-5-yl]propan-2-ol

2-[8-amino-2-(2-fluoro-4-pyridinyl)-1,7-naphthyridin-5-yl]propan-2-ol (PubChem CID 139592531) has the molecular formula C16H15FN4O and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-[8-amino-2-(2-fluoro-4-pyridinyl)-1,7-naphthyridin-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[8-amino-2-(2-fluoro-4-pyridinyl)-1,7-naphthyridin-5-yl]propan-2-ol
PubChem CID139592531
Molecular FormulaC16H15FN4O
Molecular Weight298.32 g/mol
Exact Mass298.12
IUPAC Name2-[8-amino-2-(2-fluoro-4-pyridinyl)-1,7-naphthyridin-5-yl]propan-2-ol
SMILESCC(C)(O)c1cnc(N)c2nc(-c3ccnc(F)c3)ccc12
InChIInChI=1S/C16H15FN4O/c1-16(2,22)11-8-20-15(18)14-10(11)3-4-12(21-14)9-5-6-19-13(17)7-9/h3-8,22H,1-2H3,(H2,18,20)
InChIKeyXVUSMHCLFMFBQR-UHFFFAOYSA-N
XLogP2.64
TPSA84.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[8-amino-2-(2-fluoro-4-pyridinyl)-1,7-naphthyridin-5-yl]propan-2-ol?
The IUPAC name of 2-[8-amino-2-(2-fluoro-4-pyridinyl)-1,7-naphthyridin-5-yl]propan-2-ol (CID 139592531) is 2-[8-amino-2-(2-fluoro-4-pyridinyl)-1,7-naphthyridin-5-yl]propan-2-ol.
What is the SMILES notation for 2-[8-amino-2-(2-fluoro-4-pyridinyl)-1,7-naphthyridin-5-yl]propan-2-ol?
The canonical SMILES for 2-[8-amino-2-(2-fluoro-4-pyridinyl)-1,7-naphthyridin-5-yl]propan-2-ol is CC(C)(O)c1cnc(N)c2nc(-c3ccnc(F)c3)ccc12.
What is the InChIKey of 2-[8-amino-2-(2-fluoro-4-pyridinyl)-1,7-naphthyridin-5-yl]propan-2-ol?
The InChIKey is XVUSMHCLFMFBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O/c1-16(2,22)11-8-20-15(18)14-10(11)3-4-12(21-14)9-5-6-19-13(17)7-9/h3-8,22H,1-2H3,(H2,18,20).
What are the key properties of 2-[8-amino-2-(2-fluoro-4-pyridinyl)-1,7-naphthyridin-5-yl]propan-2-ol?
2-[8-amino-2-(2-fluoro-4-pyridinyl)-1,7-naphthyridin-5-yl]propan-2-ol has a molecular weight of 298.32 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-amino-2-(2-fluoro-4-pyridinyl)-1,7-naphthyridin-5-yl]propan-2-ol is sourced from PubChem (CID 139592531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).