1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-7-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,6-naphthyridin-2-one;ethane

C29H36N8O2 — CID 162753841

About 1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-7-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,6-naphthyridin-2-one;ethane

1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-7-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,6-naphthyridin-2-one;ethane (PubChem CID 162753841) has the molecular formula C29H36N8O2 and a molecular weight of 528.66 g/mol. Its IUPAC name is 1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-7-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,6-naphthyridin-2-one;ethane.

Molecular Properties

• Compound Name: 1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-7-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,6-naphthyridin-2-one;ethane
• PubChem CID: 162753841
• Molecular Formula: C29H36N8O2
• Molecular Weight: 528.66 g/mol
• Exact Mass: 528.30
• IUPAC Name: 1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-7-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,6-naphthyridin-2-one;ethane
• SMILES: CC.Cc1cc2c(N3CCN(C)c4cc(-c5cnn(C)c5)ncc43)nc(N3CC4(COC4)C3)cc2n(C)c1=O
• InChI: InChI=1S/C27H30N8O2.C2H6/c1-17-7-19-21(33(4)26(17)36)9-24(34-13-27(14-34)15-37-16-27)30-25(19)35-6-5-31(2)22-8-20(28-11-23(22)35)18-10-29-32(3)12-18;1-2/h7-12H,5-6,13-16H2,1-4H3;1-2H3
• InChIKey: VVZMOBFGSAEATF-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 84.55 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.66
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-7-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,6-naphthyridin-2-one;ethane?

The IUPAC name of 1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-7-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,6-naphthyridin-2-one;ethane (CID 162753841) is 1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-7-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,6-naphthyridin-2-one;ethane.

What is the SMILES notation for 1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-7-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,6-naphthyridin-2-one;ethane?

The canonical SMILES for 1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-7-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,6-naphthyridin-2-one;ethane is CC.Cc1cc2c(N3CCN(C)c4cc(-c5cnn(C)c5)ncc43)nc(N3CC4(COC4)C3)cc2n(C)c1=O.

What is the InChIKey of 1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-7-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,6-naphthyridin-2-one;ethane?

The InChIKey is VVZMOBFGSAEATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8O2.C2H6/c1-17-7-19-21(33(4)26(17)36)9-24(34-13-27(14-34)15-37-16-27)30-25(19)35-6-5-31(2)22-8-20(28-11-23(22)35)18-10-29-32(3)12-18;1-2/h7-12H,5-6,13-16H2,1-4H3;1-2H3.

What are the key properties of 1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-7-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,6-naphthyridin-2-one;ethane?

1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-7-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,6-naphthyridin-2-one;ethane has a molecular weight of 528.66 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-7-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,6-naphthyridin-2-one;ethane is sourced from PubChem (CID 162753841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).