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

C21H16F2N8O3 — CID 146490906

IUPAC5-[5-amino-2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one
SMILESCn1cc(-c2c(-c3ncco3)nc(N)n3nc(Cc4ncccc4OC(F)F)nc23)ccc1=O
InChIInChI=1S/C21H16F2N8O3/c1-30-10-11(4-5-15(30)32)16-17(19-26-7-8-33-19)28-21(24)31-18(16)27-14(29-31)9-12-13(34-20(22)23)3-2-6-25-12/h2-8,10,20H,9H2,1H3,(H2,24,28)
InChIKeyHNQYRYXKHXZOGM-UHFFFAOYSA-N
MW466.41 g/mol
LogP2.31
Rot. Bonds6

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

5-[5-amino-2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one (PubChem CID 146490906) has the molecular formula C21H16F2N8O3 and a molecular weight of 466.41 g/mol. Its IUPAC name is 5-[5-amino-2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one
PubChem CID146490906
Molecular FormulaC21H16F2N8O3
Molecular Weight466.41 g/mol
Exact Mass466.13
IUPAC Name5-[5-amino-2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one
SMILESCn1cc(-c2c(-c3ncco3)nc(N)n3nc(Cc4ncccc4OC(F)F)nc23)ccc1=O
InChIInChI=1S/C21H16F2N8O3/c1-30-10-11(4-5-15(30)32)16-17(19-26-7-8-33-19)28-21(24)31-18(16)27-14(29-31)9-12-13(34-20(22)23)3-2-6-25-12/h2-8,10,20H,9H2,1H3,(H2,24,28)
InChIKeyHNQYRYXKHXZOGM-UHFFFAOYSA-N
XLogP2.31
TPSA139.25 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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

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Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one?
The IUPAC name of 5-[5-amino-2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one (CID 146490906) is 5-[5-amino-2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[5-amino-2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[5-amino-2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one is Cn1cc(-c2c(-c3ncco3)nc(N)n3nc(Cc4ncccc4OC(F)F)nc23)ccc1=O.
What is the InChIKey of 5-[5-amino-2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one?
The InChIKey is HNQYRYXKHXZOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N8O3/c1-30-10-11(4-5-15(30)32)16-17(19-26-7-8-33-19)28-21(24)31-18(16)27-14(29-31)9-12-13(34-20(22)23)3-2-6-25-12/h2-8,10,20H,9H2,1H3,(H2,24,28).
What are the key properties of 5-[5-amino-2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one?
5-[5-amino-2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one has a molecular weight of 466.41 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 146490906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).