5-fluoro-2-[1-[(3-fluoro-2-pyridinyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine

C16H11F2N7O — CID 118971358

IUPAC5-fluoro-2-[1-[(3-fluoro-2-pyridinyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine
SMILESNc1nc(-c2cc(-c3ccon3)n(Cc3ncccc3F)n2)ncc1F
InChIInChI=1S/C16H11F2N7O/c17-9-2-1-4-20-13(9)8-25-14(11-3-5-26-24-11)6-12(23-25)16-21-7-10(18)15(19)22-16/h1-7H,8H2,(H2,19,21,22)
InChIKeyXZPFVNQMMLISLK-UHFFFAOYSA-N
MW355.31 g/mol
LogP2.30
Rot. Bonds4

About 5-fluoro-2-[1-[(3-fluoro-2-pyridinyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine

5-fluoro-2-[1-[(3-fluoro-2-pyridinyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine (PubChem CID 118971358) has the molecular formula C16H11F2N7O and a molecular weight of 355.31 g/mol. Its IUPAC name is 5-fluoro-2-[1-[(3-fluoro-2-pyridinyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-[1-[(3-fluoro-2-pyridinyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine
PubChem CID118971358
Molecular FormulaC16H11F2N7O
Molecular Weight355.31 g/mol
Exact Mass355.10
IUPAC Name5-fluoro-2-[1-[(3-fluoro-2-pyridinyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine
SMILESNc1nc(-c2cc(-c3ccon3)n(Cc3ncccc3F)n2)ncc1F
InChIInChI=1S/C16H11F2N7O/c17-9-2-1-4-20-13(9)8-25-14(11-3-5-26-24-11)6-12(23-25)16-21-7-10(18)15(19)22-16/h1-7H,8H2,(H2,19,21,22)
InChIKeyXZPFVNQMMLISLK-UHFFFAOYSA-N
XLogP2.30
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-[(3-fluoro-2-pyridinyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-[1-[(3-fluoro-2-pyridinyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine (CID 118971358) is 5-fluoro-2-[1-[(3-fluoro-2-pyridinyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-[1-[(3-fluoro-2-pyridinyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-[1-[(3-fluoro-2-pyridinyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine is Nc1nc(-c2cc(-c3ccon3)n(Cc3ncccc3F)n2)ncc1F.
What is the InChIKey of 5-fluoro-2-[1-[(3-fluoro-2-pyridinyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine?
The InChIKey is XZPFVNQMMLISLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N7O/c17-9-2-1-4-20-13(9)8-25-14(11-3-5-26-24-11)6-12(23-25)16-21-7-10(18)15(19)22-16/h1-7H,8H2,(H2,19,21,22).
What are the key properties of 5-fluoro-2-[1-[(3-fluoro-2-pyridinyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine?
5-fluoro-2-[1-[(3-fluoro-2-pyridinyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine has a molecular weight of 355.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-[(3-fluoro-2-pyridinyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 118971358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).