4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-2-amine

C25H30N8 — CID 142464143

About 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-2-amine

4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-2-amine (PubChem CID 142464143) has the molecular formula C25H30N8 and a molecular weight of 442.57 g/mol. Its IUPAC name is 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-2-amine.

Molecular Properties

• Compound Name: 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-2-amine
• PubChem CID: 142464143
• Molecular Formula: C25H30N8
• Molecular Weight: 442.57 g/mol
• Exact Mass: 442.26
• IUPAC Name: 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-2-amine
• SMILES: CN1CCN(C2CCN(c3cnc4c(-c5cc(N)nc6ccccc56)cnn4c3)CC2)CC1
• InChI: InChI=1S/C25H30N8/c1-30-10-12-32(13-11-30)18-6-8-31(9-7-18)19-15-27-25-22(16-28-33(25)17-19)21-14-24(26)29-23-5-3-2-4-20(21)23/h2-5,14-18H,6-13H2,1H3,(H2,26,29)
• InChIKey: LVUUAYNZTZDNPB-UHFFFAOYSA-N
• XLogP: 2.74
• TPSA: 78.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.57
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-2-amine?

The IUPAC name of 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-2-amine (CID 142464143) is 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-2-amine.

What is the SMILES notation for 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-2-amine?

The canonical SMILES for 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-2-amine is CN1CCN(C2CCN(c3cnc4c(-c5cc(N)nc6ccccc56)cnn4c3)CC2)CC1.

What is the InChIKey of 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-2-amine?

The InChIKey is LVUUAYNZTZDNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8/c1-30-10-12-32(13-11-30)18-6-8-31(9-7-18)19-15-27-25-22(16-28-33(25)17-19)21-14-24(26)29-23-5-3-2-4-20(21)23/h2-5,14-18H,6-13H2,1H3,(H2,26,29).

What are the key properties of 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-2-amine?

4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-2-amine has a molecular weight of 442.57 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-2-amine is sourced from PubChem (CID 142464143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).