7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-[2-(pyrazin-2-ylamino)ethylamino]pyrido[2,3-b]pyrazin-2-one

C24H28N8O3 — CID 70320991

About 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-[2-(pyrazin-2-ylamino)ethylamino]pyrido[2,3-b]pyrazin-2-one

7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-[2-(pyrazin-2-ylamino)ethylamino]pyrido[2,3-b]pyrazin-2-one (PubChem CID 70320991) has the molecular formula C24H28N8O3 and a molecular weight of 476.54 g/mol. Its IUPAC name is 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-[2-(pyrazin-2-ylamino)ethylamino]pyrido[2,3-b]pyrazin-2-one.

Molecular Properties

• Compound Name: 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-[2-(pyrazin-2-ylamino)ethylamino]pyrido[2,3-b]pyrazin-2-one
• PubChem CID: 70320991
• Molecular Formula: C24H28N8O3
• Molecular Weight: 476.54 g/mol
• Exact Mass: 476.23
• IUPAC Name: 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-[2-(pyrazin-2-ylamino)ethylamino]pyrido[2,3-b]pyrazin-2-one
• SMILES: CCCOCCn1c(=O)c(NCCNc2cnccn2)nc2ncc(-c3ccc(OC)nc3)cc21
• InChI: InChI=1S/C24H28N8O3/c1-3-11-35-12-10-32-19-13-18(17-4-5-21(34-2)29-14-17)15-30-22(19)31-23(24(32)33)28-9-8-27-20-16-25-6-7-26-20/h4-7,13-16H,3,8-12H2,1-2H3,(H,26,27)(H,28,30,31)
• InChIKey: YVAZLCUVTLXCPA-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 128.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.54
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-[2-(pyrazin-2-ylamino)ethylamino]pyrido[2,3-b]pyrazin-2-one?

The IUPAC name of 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-[2-(pyrazin-2-ylamino)ethylamino]pyrido[2,3-b]pyrazin-2-one (CID 70320991) is 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-[2-(pyrazin-2-ylamino)ethylamino]pyrido[2,3-b]pyrazin-2-one.

What is the SMILES notation for 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-[2-(pyrazin-2-ylamino)ethylamino]pyrido[2,3-b]pyrazin-2-one?

The canonical SMILES for 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-[2-(pyrazin-2-ylamino)ethylamino]pyrido[2,3-b]pyrazin-2-one is CCCOCCn1c(=O)c(NCCNc2cnccn2)nc2ncc(-c3ccc(OC)nc3)cc21.

What is the InChIKey of 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-[2-(pyrazin-2-ylamino)ethylamino]pyrido[2,3-b]pyrazin-2-one?

The InChIKey is YVAZLCUVTLXCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O3/c1-3-11-35-12-10-32-19-13-18(17-4-5-21(34-2)29-14-17)15-30-22(19)31-23(24(32)33)28-9-8-27-20-16-25-6-7-26-20/h4-7,13-16H,3,8-12H2,1-2H3,(H,26,27)(H,28,30,31).

What are the key properties of 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-[2-(pyrazin-2-ylamino)ethylamino]pyrido[2,3-b]pyrazin-2-one?

7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-[2-(pyrazin-2-ylamino)ethylamino]pyrido[2,3-b]pyrazin-2-one has a molecular weight of 476.54 g/mol, XLogP of 2.60, 12 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-[2-(pyrazin-2-ylamino)ethylamino]pyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 70320991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).