[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-6-(4-methanimidoyl-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-5-yl]methanol

C21H26N8O — CID 153346470

About [3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-6-(4-methanimidoyl-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-5-yl]methanol

[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-6-(4-methanimidoyl-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-5-yl]methanol (PubChem CID 153346470) has the molecular formula C21H26N8O and a molecular weight of 406.49 g/mol. Its IUPAC name is [3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-6-(4-methanimidoyl-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-5-yl]methanol.

Molecular Properties

• Compound Name: [3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-6-(4-methanimidoyl-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-5-yl]methanol
• PubChem CID: 153346470
• Molecular Formula: C21H26N8O
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.22
• IUPAC Name: [3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-6-(4-methanimidoyl-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-5-yl]methanol
• SMILES: [H]/N=C/C1(C)CCN(c2nc3[nH]nc(N4CCCc5ncccc54)c3nc2CO)CC1
• InChI: InChI=1S/C21H26N8O/c1-21(13-22)6-10-28(11-7-21)19-15(12-30)24-17-18(25-19)26-27-20(17)29-9-3-4-14-16(29)5-2-8-23-14/h2,5,8,13,22,30H,3-4,6-7,9-12H2,1H3,(H,25,26,27)/b22-13+
• InChIKey: VGHOSNXXTXAXNK-LPYMAVHISA-N
• XLogP: 2.58
• TPSA: 117.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-6-(4-methanimidoyl-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-5-yl]methanol?

The IUPAC name of [3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-6-(4-methanimidoyl-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-5-yl]methanol (CID 153346470) is [3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-6-(4-methanimidoyl-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-5-yl]methanol.

What is the SMILES notation for [3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-6-(4-methanimidoyl-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-5-yl]methanol?

The canonical SMILES for [3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-6-(4-methanimidoyl-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-5-yl]methanol is [H]/N=C/C1(C)CCN(c2nc3[nH]nc(N4CCCc5ncccc54)c3nc2CO)CC1.

What is the InChIKey of [3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-6-(4-methanimidoyl-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-5-yl]methanol?

The InChIKey is VGHOSNXXTXAXNK-LPYMAVHISA-N. The full InChI is InChI=1S/C21H26N8O/c1-21(13-22)6-10-28(11-7-21)19-15(12-30)24-17-18(25-19)26-27-20(17)29-9-3-4-14-16(29)5-2-8-23-14/h2,5,8,13,22,30H,3-4,6-7,9-12H2,1H3,(H,25,26,27)/b22-13+.

What are the key properties of [3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-6-(4-methanimidoyl-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-5-yl]methanol?

[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-6-(4-methanimidoyl-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-5-yl]methanol has a molecular weight of 406.49 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-6-(4-methanimidoyl-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-5-yl]methanol is sourced from PubChem (CID 153346470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).