5-[5-amino-2-[(3-fluoro-2-pyridinyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-propan-2-ylpyridin-2-one

C22H19FN8O2 — CID 146491142

IUPAC5-[5-amino-2-[(3-fluoro-2-pyridinyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(-c2c(-c3ncco3)nc(N)n3nc(Cc4ncccc4F)nc23)ccc1=O
InChIInChI=1S/C22H19FN8O2/c1-12(2)30-11-13(5-6-17(30)32)18-19(21-26-8-9-33-21)28-22(24)31-20(18)27-16(29-31)10-15-14(23)4-3-7-25-15/h3-9,11-12H,10H2,1-2H3,(H2,24,28)
InChIKeyPBEPDXNNUJNEBV-UHFFFAOYSA-N
MW446.45 g/mol
LogP2.90
Rot. Bonds5

About 5-[5-amino-2-[(3-fluoro-2-pyridinyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-propan-2-ylpyridin-2-one

5-[5-amino-2-[(3-fluoro-2-pyridinyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-propan-2-ylpyridin-2-one (PubChem CID 146491142) has the molecular formula C22H19FN8O2 and a molecular weight of 446.45 g/mol. Its IUPAC name is 5-[5-amino-2-[(3-fluoro-2-pyridinyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-2-[(3-fluoro-2-pyridinyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-propan-2-ylpyridin-2-one
PubChem CID146491142
Molecular FormulaC22H19FN8O2
Molecular Weight446.45 g/mol
Exact Mass446.16
IUPAC Name5-[5-amino-2-[(3-fluoro-2-pyridinyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(-c2c(-c3ncco3)nc(N)n3nc(Cc4ncccc4F)nc23)ccc1=O
InChIInChI=1S/C22H19FN8O2/c1-12(2)30-11-13(5-6-17(30)32)18-19(21-26-8-9-33-21)28-22(24)31-20(18)27-16(29-31)10-15-14(23)4-3-7-25-15/h3-9,11-12H,10H2,1-2H3,(H2,24,28)
InChIKeyPBEPDXNNUJNEBV-UHFFFAOYSA-N
XLogP2.90
TPSA130.02 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-[5-amino-2-[(3-fluoro-2-pyridinyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-propan-2-ylpyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-2-[(3-fluoro-2-pyridinyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-propan-2-ylpyridin-2-one?
The IUPAC name of 5-[5-amino-2-[(3-fluoro-2-pyridinyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-propan-2-ylpyridin-2-one (CID 146491142) is 5-[5-amino-2-[(3-fluoro-2-pyridinyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-[5-amino-2-[(3-fluoro-2-pyridinyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-[5-amino-2-[(3-fluoro-2-pyridinyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-propan-2-ylpyridin-2-one is CC(C)n1cc(-c2c(-c3ncco3)nc(N)n3nc(Cc4ncccc4F)nc23)ccc1=O.
What is the InChIKey of 5-[5-amino-2-[(3-fluoro-2-pyridinyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-propan-2-ylpyridin-2-one?
The InChIKey is PBEPDXNNUJNEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN8O2/c1-12(2)30-11-13(5-6-17(30)32)18-19(21-26-8-9-33-21)28-22(24)31-20(18)27-16(29-31)10-15-14(23)4-3-7-25-15/h3-9,11-12H,10H2,1-2H3,(H2,24,28).
What are the key properties of 5-[5-amino-2-[(3-fluoro-2-pyridinyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-propan-2-ylpyridin-2-one?
5-[5-amino-2-[(3-fluoro-2-pyridinyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-propan-2-ylpyridin-2-one has a molecular weight of 446.45 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-2-[(3-fluoro-2-pyridinyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 146491142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).