N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide

C23H24F2N8O4 — CID 139269486

About N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide

N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide (PubChem CID 139269486) has the molecular formula C23H24F2N8O4 and a molecular weight of 514.49 g/mol. Its IUPAC name is N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide.

Molecular Properties

• Compound Name: N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide
• PubChem CID: 139269486
• Molecular Formula: C23H24F2N8O4
• Molecular Weight: 514.49 g/mol
• Exact Mass: 514.19
• IUPAC Name: N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide
• SMILES: Cc1cc(CN2C(=O)C3C(N=CN3CC(=O)Nc3cccc(N4CC5C(C4)C5(F)F)n3)N(C)C2=O)no1
• InChI: InChI=1S/C23H24F2N8O4/c1-12-6-13(29-37-12)7-33-21(35)19-20(30(2)22(33)36)26-11-32(19)10-18(34)28-16-4-3-5-17(27-16)31-8-14-15(9-31)23(14,24)25/h3-6,11,14-15,19-20H,7-10H2,1-2H3,(H,27,28,34)
• InChIKey: ZBKYVVCFZXLZTH-UHFFFAOYSA-N
• XLogP: 1.15
• TPSA: 127.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.49
LogP ≤ 5	1.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide?

The IUPAC name of N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide (CID 139269486) is N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide.

What is the SMILES notation for N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide?

The canonical SMILES for N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide is Cc1cc(CN2C(=O)C3C(N=CN3CC(=O)Nc3cccc(N4CC5C(C4)C5(F)F)n3)N(C)C2=O)no1.

What is the InChIKey of N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide?

The InChIKey is ZBKYVVCFZXLZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N8O4/c1-12-6-13(29-37-12)7-33-21(35)19-20(30(2)22(33)36)26-11-32(19)10-18(34)28-16-4-3-5-17(27-16)31-8-14-15(9-31)23(14,24)25/h3-6,11,14-15,19-20H,7-10H2,1-2H3,(H,27,28,34).

What are the key properties of N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide?

N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide has a molecular weight of 514.49 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide is sourced from PubChem (CID 139269486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).