N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine

C22H25F2N7O — CID 139390288

About N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine

N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine (PubChem CID 139390288) has the molecular formula C22H25F2N7O and a molecular weight of 441.49 g/mol. Its IUPAC name is N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine.

Molecular Properties

• Compound Name: N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine
• PubChem CID: 139390288
• Molecular Formula: C22H25F2N7O
• Molecular Weight: 441.49 g/mol
• Exact Mass: 441.21
• IUPAC Name: N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine
• SMILES: CC(C)N1CCOc2c(F)cc(-c3nc(Nc4cc5n(n4)CCN(C)C5)ncc3F)cc21
• InChI: InChI=1S/C22H25F2N7O/c1-13(2)30-6-7-32-21-16(23)8-14(9-18(21)30)20-17(24)11-25-22(27-20)26-19-10-15-12-29(3)4-5-31(15)28-19/h8-11,13H,4-7,12H2,1-3H3,(H,25,26,27,28)
• InChIKey: SLORTXJSOVPUPP-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 71.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.49
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine?

The IUPAC name of N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine (CID 139390288) is N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine.

What is the SMILES notation for N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine?

The canonical SMILES for N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine is CC(C)N1CCOc2c(F)cc(-c3nc(Nc4cc5n(n4)CCN(C)C5)ncc3F)cc21.

What is the InChIKey of N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine?

The InChIKey is SLORTXJSOVPUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N7O/c1-13(2)30-6-7-32-21-16(23)8-14(9-18(21)30)20-17(24)11-25-22(27-20)26-19-10-15-12-29(3)4-5-31(15)28-19/h8-11,13H,4-7,12H2,1-3H3,(H,25,26,27,28).

What are the key properties of N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine?

N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine has a molecular weight of 441.49 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine is sourced from PubChem (CID 139390288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).