(2S)-4-[5-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]-2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]morpholine

C22H24N10O2 — CID 118370657

About (2S)-4-[5-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]-2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]morpholine

(2S)-4-[5-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]-2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]morpholine (PubChem CID 118370657) has the molecular formula C22H24N10O2 and a molecular weight of 460.50 g/mol. Its IUPAC name is (2S)-4-[5-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]-2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]morpholine.

Molecular Properties

• Compound Name: (2S)-4-[5-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]-2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]morpholine
• PubChem CID: 118370657
• Molecular Formula: C22H24N10O2
• Molecular Weight: 460.50 g/mol
• Exact Mass: 460.21
• IUPAC Name: (2S)-4-[5-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]-2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]morpholine
• SMILES: Cn1cc(-c2cnc3nnn(C[C@@H]4CN(c5ncc(C6=CCOCC6)cn5)CCO4)c3n2)cn1
• InChI: InChI=1S/C22H24N10O2/c1-30-12-17(10-26-30)19-11-23-20-21(27-19)32(29-28-20)14-18-13-31(4-7-34-18)22-24-8-16(9-25-22)15-2-5-33-6-3-15/h2,8-12,18H,3-7,13-14H2,1H3/t18-/m0/s1
• InChIKey: KLJRVZWUBBCZDO-SFHVURJKSA-N
• XLogP: 1.12
• TPSA: 121.79 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.50
LogP ≤ 5	1.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[5-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]-2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]morpholine?

The IUPAC name of (2S)-4-[5-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]-2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]morpholine (CID 118370657) is (2S)-4-[5-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]-2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]morpholine.

What is the SMILES notation for (2S)-4-[5-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]-2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]morpholine?

The canonical SMILES for (2S)-4-[5-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]-2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]morpholine is Cn1cc(-c2cnc3nnn(C[C@@H]4CN(c5ncc(C6=CCOCC6)cn5)CCO4)c3n2)cn1.

What is the InChIKey of (2S)-4-[5-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]-2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]morpholine?

The InChIKey is KLJRVZWUBBCZDO-SFHVURJKSA-N. The full InChI is InChI=1S/C22H24N10O2/c1-30-12-17(10-26-30)19-11-23-20-21(27-19)32(29-28-20)14-18-13-31(4-7-34-18)22-24-8-16(9-25-22)15-2-5-33-6-3-15/h2,8-12,18H,3-7,13-14H2,1H3/t18-/m0/s1.

What are the key properties of (2S)-4-[5-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]-2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]morpholine?

(2S)-4-[5-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]-2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]morpholine has a molecular weight of 460.50 g/mol, XLogP of 1.12, 5 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-4-[5-(3,6-dihydro-2H-pyran-4-yl)pyrimidin-2-yl]-2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]morpholine is sourced from PubChem (CID 118370657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).