7-(6-methoxy-3-pyridinyl)-3-(oxan-4-ylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one

C23H29N5O4 — CID 70320175

About 7-(6-methoxy-3-pyridinyl)-3-(oxan-4-ylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one

7-(6-methoxy-3-pyridinyl)-3-(oxan-4-ylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one (PubChem CID 70320175) has the molecular formula C23H29N5O4 and a molecular weight of 439.52 g/mol. Its IUPAC name is 7-(6-methoxy-3-pyridinyl)-3-(oxan-4-ylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one.

Molecular Properties

• Compound Name: 7-(6-methoxy-3-pyridinyl)-3-(oxan-4-ylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
• PubChem CID: 70320175
• Molecular Formula: C23H29N5O4
• Molecular Weight: 439.52 g/mol
• Exact Mass: 439.22
• IUPAC Name: 7-(6-methoxy-3-pyridinyl)-3-(oxan-4-ylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
• SMILES: CCCOCCn1c(=O)c(NC2CCOCC2)nc2ncc(-c3ccc(OC)nc3)cc21
• InChI: InChI=1S/C23H29N5O4/c1-3-9-31-12-8-28-19-13-17(16-4-5-20(30-2)24-14-16)15-25-21(19)27-22(23(28)29)26-18-6-10-32-11-7-18/h4-5,13-15,18H,3,6-12H2,1-2H3,(H,25,26,27)
• InChIKey: IHWDRKHVDXTPGH-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 100.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.52
LogP ≤ 5	2.88
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)-3-(oxan-4-ylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one?

The IUPAC name of 7-(6-methoxy-3-pyridinyl)-3-(oxan-4-ylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one (CID 70320175) is 7-(6-methoxy-3-pyridinyl)-3-(oxan-4-ylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one.

What is the SMILES notation for 7-(6-methoxy-3-pyridinyl)-3-(oxan-4-ylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one?

The canonical SMILES for 7-(6-methoxy-3-pyridinyl)-3-(oxan-4-ylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one is CCCOCCn1c(=O)c(NC2CCOCC2)nc2ncc(-c3ccc(OC)nc3)cc21.

What is the InChIKey of 7-(6-methoxy-3-pyridinyl)-3-(oxan-4-ylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one?

The InChIKey is IHWDRKHVDXTPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4/c1-3-9-31-12-8-28-19-13-17(16-4-5-20(30-2)24-14-16)15-25-21(19)27-22(23(28)29)26-18-6-10-32-11-7-18/h4-5,13-15,18H,3,6-12H2,1-2H3,(H,25,26,27).

What are the key properties of 7-(6-methoxy-3-pyridinyl)-3-(oxan-4-ylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one?

7-(6-methoxy-3-pyridinyl)-3-(oxan-4-ylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one has a molecular weight of 439.52 g/mol, XLogP of 2.88, 9 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)-3-(oxan-4-ylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 70320175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).