1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-7-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,6-naphthyridin-2-one

C28H32N8O2 — CID 162754043

About 1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-7-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,6-naphthyridin-2-one

1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-7-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,6-naphthyridin-2-one (PubChem CID 162754043) has the molecular formula C28H32N8O2 and a molecular weight of 512.62 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-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,6-naphthyridin-2-one.

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-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,6-naphthyridin-2-one
• PubChem CID: 162754043
• Molecular Formula: C28H32N8O2
• Molecular Weight: 512.62 g/mol
• Exact Mass: 512.26
• IUPAC Name: 1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-7-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,6-naphthyridin-2-one
• SMILES: Cc1cc2c(N3CCN(C)c4cc(-c5cnn(C)c5)ncc43)nc(N3C4CCC3COC4)cc2n(C)c1=O
• InChI: InChI=1S/C28H32N8O2/c1-17-9-21-23(34(4)28(17)37)11-26(36-19-5-6-20(36)16-38-15-19)31-27(21)35-8-7-32(2)24-10-22(29-13-25(24)35)18-12-30-33(3)14-18/h9-14,19-20H,5-8,15-16H2,1-4H3
• InChIKey: MICJSYVXIRZMTK-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 84.55 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.62
LogP ≤ 5	2.99
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-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,6-naphthyridin-2-one?

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-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,6-naphthyridin-2-one (CID 162754043) is 1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-7-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,6-naphthyridin-2-one.

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-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,6-naphthyridin-2-one?

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-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,6-naphthyridin-2-one is Cc1cc2c(N3CCN(C)c4cc(-c5cnn(C)c5)ncc43)nc(N3C4CCC3COC4)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-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,6-naphthyridin-2-one?

The InChIKey is MICJSYVXIRZMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N8O2/c1-17-9-21-23(34(4)28(17)37)11-26(36-19-5-6-20(36)16-38-15-19)31-27(21)35-8-7-32(2)24-10-22(29-13-25(24)35)18-12-30-33(3)14-18/h9-14,19-20H,5-8,15-16H2,1-4H3.

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-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,6-naphthyridin-2-one?

1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-7-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,6-naphthyridin-2-one has a molecular weight of 512.62 g/mol, XLogP of 2.99, 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-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,6-naphthyridin-2-one is sourced from PubChem (CID 162754043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).