7-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one

C₂₂H₂₄N₈O₃ — CID 135129162

About 7-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one

7-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 135129162) has the molecular formula C₂₂H₂₄N₈O₃ and a molecular weight of 448.49 g/mol. Its IUPAC name is 7-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

• Compound Name: 7-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
• PubChem CID: 135129162
• Molecular Formula: C₂₂H₂₄N₈O₃
• Molecular Weight: 448.49 g/mol
• Exact Mass: 448.20
• IUPAC Name: 7-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
• SMILES: Cn1cc(-n2ccc3nc(Nc4cc5n(c4)CCNC5=O)nc(OC4CCOCC4)c32)cn1
• InChI: InChI=1S/C22H24N8O3/c1-28-13-15(11-24-28)30-6-2-17-19(30)21(33-16-3-8-32-9-4-16)27-22(26-17)25-14-10-18-20(31)23-5-7-29(18)12-14/h2,6,10-13,16H,3-5,7-9H2,1H3,(H,23,31)(H,25,26,27)
• InChIKey: JFJQLKPTTAWKHU-UHFFFAOYSA-N
• XLogP: 2.00
• TPSA: 113.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.49
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 7-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?

The IUPAC name of 7-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 135129162) is 7-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one.

What is the SMILES notation for 7-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?

The canonical SMILES for 7-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one is Cn1cc(-n2ccc3nc(Nc4cc5n(c4)CCNC5=O)nc(OC4CCOCC4)c32)cn1.

What is the InChIKey of 7-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?

The InChIKey is JFJQLKPTTAWKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O3/c1-28-13-15(11-24-28)30-6-2-17-19(30)21(33-16-3-8-32-9-4-16)27-22(26-17)25-14-10-18-20(31)23-5-7-29(18)12-14/h2,6,10-13,16H,3-5,7-9H2,1H3,(H,23,31)(H,25,26,27).

What are the key properties of 7-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?

7-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 448.49 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 135129162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135129162 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.