4-methyl-1-[3-[5-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine

C24H29N9 — CID 134474233

About 4-methyl-1-[3-[5-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine

4-methyl-1-[3-[5-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine (PubChem CID 134474233) has the molecular formula C24H29N9 and a molecular weight of 443.56 g/mol. Its IUPAC name is 4-methyl-1-[3-[5-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine.

Molecular Properties

• Compound Name: 4-methyl-1-[3-[5-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine
• PubChem CID: 134474233
• Molecular Formula: C24H29N9
• Molecular Weight: 443.56 g/mol
• Exact Mass: 443.25
• IUPAC Name: 4-methyl-1-[3-[5-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine
• SMILES: Cn1cc(-c2cccc3c2CCCN3c2n[nH]c3nc(N4CCC(C)(N)CC4)cnc23)cn1
• InChI: InChI=1S/C24H29N9/c1-24(25)8-11-32(12-9-24)20-14-26-21-22(28-20)29-30-23(21)33-10-4-6-18-17(5-3-7-19(18)33)16-13-27-31(2)15-16/h3,5,7,13-15H,4,6,8-12,25H2,1-2H3,(H,28,29,30)
• InChIKey: PZXUHBSHDUMOOJ-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 104.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.56
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[3-[5-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine?

The IUPAC name of 4-methyl-1-[3-[5-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine (CID 134474233) is 4-methyl-1-[3-[5-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine.

What is the SMILES notation for 4-methyl-1-[3-[5-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine?

The canonical SMILES for 4-methyl-1-[3-[5-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine is Cn1cc(-c2cccc3c2CCCN3c2n[nH]c3nc(N4CCC(C)(N)CC4)cnc23)cn1.

What is the InChIKey of 4-methyl-1-[3-[5-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine?

The InChIKey is PZXUHBSHDUMOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N9/c1-24(25)8-11-32(12-9-24)20-14-26-21-22(28-20)29-30-23(21)33-10-4-6-18-17(5-3-7-19(18)33)16-13-27-31(2)15-16/h3,5,7,13-15H,4,6,8-12,25H2,1-2H3,(H,28,29,30).

What are the key properties of 4-methyl-1-[3-[5-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine?

4-methyl-1-[3-[5-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine has a molecular weight of 443.56 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-1-[3-[5-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine is sourced from PubChem (CID 134474233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).