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

C24H26N6O3 — CID 45486581

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

7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(pyridin-2-ylmethylamino)pyrido[2,3-b]pyrazin-2-one (PubChem CID 45486581) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(pyridin-2-ylmethylamino)pyrido[2,3-b]pyrazin-2-one.

Molecular Properties

• Compound Name: 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(pyridin-2-ylmethylamino)pyrido[2,3-b]pyrazin-2-one
• PubChem CID: 45486581
• Molecular Formula: C24H26N6O3
• Molecular Weight: 446.51 g/mol
• Exact Mass: 446.21
• IUPAC Name: 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(pyridin-2-ylmethylamino)pyrido[2,3-b]pyrazin-2-one
• SMILES: CCCOCCn1c(=O)c(NCc2ccccn2)nc2ncc(-c3ccc(OC)nc3)cc21
• InChI: InChI=1S/C24H26N6O3/c1-3-11-33-12-10-30-20-13-18(17-7-8-21(32-2)26-14-17)15-27-22(20)29-23(24(30)31)28-16-19-6-4-5-9-25-19/h4-9,13-15H,3,10-12,16H2,1-2H3,(H,27,28,29)
• InChIKey: NKMRAUNOTUPLIP-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 104.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.51
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

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-(pyridin-2-ylmethylamino)pyrido[2,3-b]pyrazin-2-one?

The IUPAC name of 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(pyridin-2-ylmethylamino)pyrido[2,3-b]pyrazin-2-one (CID 45486581) is 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(pyridin-2-ylmethylamino)pyrido[2,3-b]pyrazin-2-one.

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

The canonical SMILES for 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(pyridin-2-ylmethylamino)pyrido[2,3-b]pyrazin-2-one is CCCOCCn1c(=O)c(NCc2ccccn2)nc2ncc(-c3ccc(OC)nc3)cc21.

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

The InChIKey is NKMRAUNOTUPLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-3-11-33-12-10-30-20-13-18(17-7-8-21(32-2)26-14-17)15-27-22(20)29-23(24(30)31)28-16-19-6-4-5-9-25-19/h4-9,13-15H,3,10-12,16H2,1-2H3,(H,27,28,29).

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

7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(pyridin-2-ylmethylamino)pyrido[2,3-b]pyrazin-2-one has a molecular weight of 446.51 g/mol, XLogP of 3.30, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(pyridin-2-ylmethylamino)pyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 45486581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).