1-[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-1,5-naphthyridin-2-one;6-(4,4-dimethylpiperidin-1-yl)-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[3-(4,4-dimethylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-1,5-naphthyridin-2-one

C58H71IN18O3 — CID 159924893

About 1-[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-1,5-naphthyridin-2-one;6-(4,4-dimethylpiperidin-1-yl)-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[3-(4,4-dimethylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-1,5-naphthyridin-2-one

1-[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-1,5-naphthyridin-2-one;6-(4,4-dimethylpiperidin-1-yl)-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[3-(4,4-dimethylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-1,5-naphthyridin-2-one (PubChem CID 159924893) has the molecular formula C58H71IN18O3 and a molecular weight of 1195.23 g/mol. Its IUPAC name is 1-[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-1,5-naphthyridin-2-one;6-(4,4-dimethylpiperidin-1-yl)-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[3-(4,4-dimethylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-1,5-naphthyridin-2-one.

Molecular Properties

• Compound Name: 1-[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-1,5-naphthyridin-2-one;6-(4,4-dimethylpiperidin-1-yl)-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[3-(4,4-dimethylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-1,5-naphthyridin-2-one
• PubChem CID: 159924893
• Molecular Formula: C58H71IN18O3
• Molecular Weight: 1195.23 g/mol
• Exact Mass: 1194.50
• IUPAC Name: 1-[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-1,5-naphthyridin-2-one;6-(4,4-dimethylpiperidin-1-yl)-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[3-(4,4-dimethylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-1,5-naphthyridin-2-one
• SMILES: CC1(C)CCN(c2cnc3c(I)nn(C4CCCCO4)c3n2)CC1.CC1(C)CCN(c2cnc3c(n2)CN=C3N2C(=O)CCc3ncccc32)CC1.CC1(N)CCN(c2cnc3c(n2)CN=C3N2C(=O)CCc3ncccc32)CC1
• InChI: InChI=1S/C21H24N6O.C20H23N7O.C17H24IN5O/c1-21(2)7-10-26(11-8-21)17-13-23-19-15(25-17)12-24-20(19)27-16-4-3-9-22-14(16)5-6-18(27)28;1-20(21)6-9-26(10-7-20)16-12-23-18-14(25-16)11-24-19(18)27-15-3-2-8-22-13(15)4-5-17(27)28;1-17(2)6-8-22(9-7-17)12-11-19-14-15(18)21-23(16(14)20-12)13-5-3-4-10-24-13/h3-4,9,13H,5-8,10-12H2,1-2H3;2-3,8,12H,4-7,9-11,21H2,1H3;11,13H,3-10H2,1-2H3
• InChIKey: NYWPFCKPWDTYDF-UHFFFAOYSA-N
• XLogP: 7.92
• TPSA: 231.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 4
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1195.23
LogP ≤ 5	7.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-1,5-naphthyridin-2-one;6-(4,4-dimethylpiperidin-1-yl)-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[3-(4,4-dimethylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-1,5-naphthyridin-2-one?

The IUPAC name of 1-[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-1,5-naphthyridin-2-one;6-(4,4-dimethylpiperidin-1-yl)-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[3-(4,4-dimethylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-1,5-naphthyridin-2-one (CID 159924893) is 1-[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-1,5-naphthyridin-2-one;6-(4,4-dimethylpiperidin-1-yl)-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[3-(4,4-dimethylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-1,5-naphthyridin-2-one.

What is the SMILES notation for 1-[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-1,5-naphthyridin-2-one;6-(4,4-dimethylpiperidin-1-yl)-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[3-(4,4-dimethylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-1,5-naphthyridin-2-one?

The canonical SMILES for 1-[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-1,5-naphthyridin-2-one;6-(4,4-dimethylpiperidin-1-yl)-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[3-(4,4-dimethylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-1,5-naphthyridin-2-one is CC1(C)CCN(c2cnc3c(I)nn(C4CCCCO4)c3n2)CC1.CC1(C)CCN(c2cnc3c(n2)CN=C3N2C(=O)CCc3ncccc32)CC1.CC1(N)CCN(c2cnc3c(n2)CN=C3N2C(=O)CCc3ncccc32)CC1.

What is the InChIKey of 1-[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-1,5-naphthyridin-2-one;6-(4,4-dimethylpiperidin-1-yl)-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[3-(4,4-dimethylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-1,5-naphthyridin-2-one?

The InChIKey is NYWPFCKPWDTYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O.C20H23N7O.C17H24IN5O/c1-21(2)7-10-26(11-8-21)17-13-23-19-15(25-17)12-24-20(19)27-16-4-3-9-22-14(16)5-6-18(27)28;1-20(21)6-9-26(10-7-20)16-12-23-18-14(25-16)11-24-19(18)27-15-3-2-8-22-13(15)4-5-17(27)28;1-17(2)6-8-22(9-7-17)12-11-19-14-15(18)21-23(16(14)20-12)13-5-3-4-10-24-13/h3-4,9,13H,5-8,10-12H2,1-2H3;2-3,8,12H,4-7,9-11,21H2,1H3;11,13H,3-10H2,1-2H3.

What are the key properties of 1-[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-1,5-naphthyridin-2-one;6-(4,4-dimethylpiperidin-1-yl)-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[3-(4,4-dimethylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-1,5-naphthyridin-2-one?

1-[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-1,5-naphthyridin-2-one;6-(4,4-dimethylpiperidin-1-yl)-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[3-(4,4-dimethylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-1,5-naphthyridin-2-one has a molecular weight of 1195.23 g/mol, XLogP of 7.92, 4 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(4-amino-4-methylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-1,5-naphthyridin-2-one;6-(4,4-dimethylpiperidin-1-yl)-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[3-(4,4-dimethylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-1,5-naphthyridin-2-one is sourced from PubChem (CID 159924893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).