4-[7-hydroxy-6-propan-2-yl-4-(quinolin-3-ylmethylamino)pyrrolo[3,4-d]pyrimidin-2-yl]piperazin-2-one

C23H25N7O2 — CID 90900908

About 4-[7-hydroxy-6-propan-2-yl-4-(quinolin-3-ylmethylamino)pyrrolo[3,4-d]pyrimidin-2-yl]piperazin-2-one

4-[7-hydroxy-6-propan-2-yl-4-(quinolin-3-ylmethylamino)pyrrolo[3,4-d]pyrimidin-2-yl]piperazin-2-one (PubChem CID 90900908) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 4-[7-hydroxy-6-propan-2-yl-4-(quinolin-3-ylmethylamino)pyrrolo[3,4-d]pyrimidin-2-yl]piperazin-2-one.

Molecular Properties

• Compound Name: 4-[7-hydroxy-6-propan-2-yl-4-(quinolin-3-ylmethylamino)pyrrolo[3,4-d]pyrimidin-2-yl]piperazin-2-one
• PubChem CID: 90900908
• Molecular Formula: C23H25N7O2
• Molecular Weight: 431.50 g/mol
• Exact Mass: 431.21
• IUPAC Name: 4-[7-hydroxy-6-propan-2-yl-4-(quinolin-3-ylmethylamino)pyrrolo[3,4-d]pyrimidin-2-yl]piperazin-2-one
• SMILES: CC(C)n1cc2c(NCc3cnc4ccccc4c3)nc(N3CCNC(=O)C3)nc2c1O
• InChI: InChI=1S/C23H25N7O2/c1-14(2)30-12-17-20(22(30)32)27-23(29-8-7-24-19(31)13-29)28-21(17)26-11-15-9-16-5-3-4-6-18(16)25-10-15/h3-6,9-10,12,14,32H,7-8,11,13H2,1-2H3,(H,24,31)(H,26,27,28)
• InChIKey: SRZZRBWZXHAZRN-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 108.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.50
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[7-hydroxy-6-propan-2-yl-4-(quinolin-3-ylmethylamino)pyrrolo[3,4-d]pyrimidin-2-yl]piperazin-2-one?

The IUPAC name of 4-[7-hydroxy-6-propan-2-yl-4-(quinolin-3-ylmethylamino)pyrrolo[3,4-d]pyrimidin-2-yl]piperazin-2-one (CID 90900908) is 4-[7-hydroxy-6-propan-2-yl-4-(quinolin-3-ylmethylamino)pyrrolo[3,4-d]pyrimidin-2-yl]piperazin-2-one.

What is the SMILES notation for 4-[7-hydroxy-6-propan-2-yl-4-(quinolin-3-ylmethylamino)pyrrolo[3,4-d]pyrimidin-2-yl]piperazin-2-one?

The canonical SMILES for 4-[7-hydroxy-6-propan-2-yl-4-(quinolin-3-ylmethylamino)pyrrolo[3,4-d]pyrimidin-2-yl]piperazin-2-one is CC(C)n1cc2c(NCc3cnc4ccccc4c3)nc(N3CCNC(=O)C3)nc2c1O.

What is the InChIKey of 4-[7-hydroxy-6-propan-2-yl-4-(quinolin-3-ylmethylamino)pyrrolo[3,4-d]pyrimidin-2-yl]piperazin-2-one?

The InChIKey is SRZZRBWZXHAZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-14(2)30-12-17-20(22(30)32)27-23(29-8-7-24-19(31)13-29)28-21(17)26-11-15-9-16-5-3-4-6-18(16)25-10-15/h3-6,9-10,12,14,32H,7-8,11,13H2,1-2H3,(H,24,31)(H,26,27,28).

What are the key properties of 4-[7-hydroxy-6-propan-2-yl-4-(quinolin-3-ylmethylamino)pyrrolo[3,4-d]pyrimidin-2-yl]piperazin-2-one?

4-[7-hydroxy-6-propan-2-yl-4-(quinolin-3-ylmethylamino)pyrrolo[3,4-d]pyrimidin-2-yl]piperazin-2-one has a molecular weight of 431.50 g/mol, XLogP of 2.81, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-hydroxy-6-propan-2-yl-4-(quinolin-3-ylmethylamino)pyrrolo[3,4-d]pyrimidin-2-yl]piperazin-2-one is sourced from PubChem (CID 90900908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).