[1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methylcarbamic acid

C₂₆H₃₄N₈O₄ — CID 135387949

About [1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methylcarbamic acid

[1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methylcarbamic acid (PubChem CID 135387949) has the molecular formula C₂₆H₃₄N₈O₄ and a molecular weight of 522.61 g/mol. Its IUPAC name is [1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methylcarbamic acid.

Molecular Properties

• Compound Name: [1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methylcarbamic acid
• PubChem CID: 135387949
• Molecular Formula: C₂₆H₃₄N₈O₄
• Molecular Weight: 522.61 g/mol
• Exact Mass: 522.27
• IUPAC Name: [1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methylcarbamic acid
• SMILES: COC1(CNC(=O)O)CCN(c2cnc3c(N4CCCc5ncccc54)nn(C4CCCCO4)c3n2)CC1
• InChI: InChI=1S/C26H34N8O4/c1-37-26(17-29-25(35)36)9-13-32(14-10-26)20-16-28-22-23(30-20)34(21-8-2-3-15-38-21)31-24(22)33-12-5-6-18-19(33)7-4-11-27-18/h4,7,11,16,21,29H,2-3,5-6,8-10,12-15,17H2,1H3,(H,35,36)
• InChIKey: GHYXBRDBIAAICG-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 130.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.61
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methylcarbamic acid?

The IUPAC name of [1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methylcarbamic acid (CID 135387949) is [1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methylcarbamic acid.

What is the SMILES notation for [1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methylcarbamic acid?

The canonical SMILES for [1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methylcarbamic acid is COC1(CNC(=O)O)CCN(c2cnc3c(N4CCCc5ncccc54)nn(C4CCCCO4)c3n2)CC1.

What is the InChIKey of [1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methylcarbamic acid?

The InChIKey is GHYXBRDBIAAICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N8O4/c1-37-26(17-29-25(35)36)9-13-32(14-10-26)20-16-28-22-23(30-20)34(21-8-2-3-15-38-21)31-24(22)33-12-5-6-18-19(33)7-4-11-27-18/h4,7,11,16,21,29H,2-3,5-6,8-10,12-15,17H2,1H3,(H,35,36).

What are the key properties of [1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methylcarbamic acid?

[1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methylcarbamic acid has a molecular weight of 522.61 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methylcarbamic acid is sourced from PubChem (CID 135387949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135387949 — identifiers, structure, computed properties (public domain)

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