8-ethyl-6,6-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)-9-propan-2-yl-5H-pyrazolo[3,4-h]quinazolin-2-amine

C25H34N8 — CID 139315529

About 8-ethyl-6,6-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)-9-propan-2-yl-5H-pyrazolo[3,4-h]quinazolin-2-amine

8-ethyl-6,6-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)-9-propan-2-yl-5H-pyrazolo[3,4-h]quinazolin-2-amine (PubChem CID 139315529) has the molecular formula C25H34N8 and a molecular weight of 446.60 g/mol. Its IUPAC name is 8-ethyl-6,6-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)-9-propan-2-yl-5H-pyrazolo[3,4-h]quinazolin-2-amine.

Molecular Properties

• Compound Name: 8-ethyl-6,6-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)-9-propan-2-yl-5H-pyrazolo[3,4-h]quinazolin-2-amine
• PubChem CID: 139315529
• Molecular Formula: C25H34N8
• Molecular Weight: 446.60 g/mol
• Exact Mass: 446.29
• IUPAC Name: 8-ethyl-6,6-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)-9-propan-2-yl-5H-pyrazolo[3,4-h]quinazolin-2-amine
• SMILES: CCn1nc2c(c1C(C)C)-c1nc(Nc3ccc(N4CCNCC4)cn3)ncc1CC2(C)C
• InChI: InChI=1S/C25H34N8/c1-6-33-22(16(2)3)20-21-17(13-25(4,5)23(20)31-33)14-28-24(30-21)29-19-8-7-18(15-27-19)32-11-9-26-10-12-32/h7-8,14-16,26H,6,9-13H2,1-5H3,(H,27,28,29,30)
• InChIKey: DSILOXYHYABESW-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 83.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.60
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6,6-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)-9-propan-2-yl-5H-pyrazolo[3,4-h]quinazolin-2-amine?

The IUPAC name of 8-ethyl-6,6-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)-9-propan-2-yl-5H-pyrazolo[3,4-h]quinazolin-2-amine (CID 139315529) is 8-ethyl-6,6-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)-9-propan-2-yl-5H-pyrazolo[3,4-h]quinazolin-2-amine.

What is the SMILES notation for 8-ethyl-6,6-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)-9-propan-2-yl-5H-pyrazolo[3,4-h]quinazolin-2-amine?

The canonical SMILES for 8-ethyl-6,6-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)-9-propan-2-yl-5H-pyrazolo[3,4-h]quinazolin-2-amine is CCn1nc2c(c1C(C)C)-c1nc(Nc3ccc(N4CCNCC4)cn3)ncc1CC2(C)C.

What is the InChIKey of 8-ethyl-6,6-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)-9-propan-2-yl-5H-pyrazolo[3,4-h]quinazolin-2-amine?

The InChIKey is DSILOXYHYABESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N8/c1-6-33-22(16(2)3)20-21-17(13-25(4,5)23(20)31-33)14-28-24(30-21)29-19-8-7-18(15-27-19)32-11-9-26-10-12-32/h7-8,14-16,26H,6,9-13H2,1-5H3,(H,27,28,29,30).

What are the key properties of 8-ethyl-6,6-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)-9-propan-2-yl-5H-pyrazolo[3,4-h]quinazolin-2-amine?

8-ethyl-6,6-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)-9-propan-2-yl-5H-pyrazolo[3,4-h]quinazolin-2-amine has a molecular weight of 446.60 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-ethyl-6,6-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)-9-propan-2-yl-5H-pyrazolo[3,4-h]quinazolin-2-amine is sourced from PubChem (CID 139315529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).