3-[[3-[3-hydroxypropyl(methyl)amino]-2-methylpropyl]amino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one

C26H38N6O4 — CID 143336560

About 3-[[3-[3-hydroxypropyl(methyl)amino]-2-methylpropyl]amino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one

3-[[3-[3-hydroxypropyl(methyl)amino]-2-methylpropyl]amino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one (PubChem CID 143336560) has the molecular formula C26H38N6O4 and a molecular weight of 498.63 g/mol. Its IUPAC name is 3-[[3-[3-hydroxypropyl(methyl)amino]-2-methylpropyl]amino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one.

Molecular Properties

• Compound Name: 3-[[3-[3-hydroxypropyl(methyl)amino]-2-methylpropyl]amino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
• PubChem CID: 143336560
• Molecular Formula: C26H38N6O4
• Molecular Weight: 498.63 g/mol
• Exact Mass: 498.30
• IUPAC Name: 3-[[3-[3-hydroxypropyl(methyl)amino]-2-methylpropyl]amino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
• SMILES: CCCOCCn1c(=O)c(NCC(C)CN(C)CCCO)nc2ncc(-c3ccc(OC)nc3)cc21
• InChI: InChI=1S/C26H38N6O4/c1-5-12-36-13-10-32-22-14-21(20-7-8-23(35-4)27-16-20)17-29-24(22)30-25(26(32)34)28-15-19(2)18-31(3)9-6-11-33/h7-8,14,16-17,19,33H,5-6,9-13,15,18H2,1-4H3,(H,28,29,30)
• InChIKey: BNYRJLYVRGUMKW-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 114.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.63
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

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 3-[[3-[3-hydroxypropyl(methyl)amino]-2-methylpropyl]amino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one?

The IUPAC name of 3-[[3-[3-hydroxypropyl(methyl)amino]-2-methylpropyl]amino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one (CID 143336560) is 3-[[3-[3-hydroxypropyl(methyl)amino]-2-methylpropyl]amino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one.

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

The canonical SMILES for 3-[[3-[3-hydroxypropyl(methyl)amino]-2-methylpropyl]amino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one is CCCOCCn1c(=O)c(NCC(C)CN(C)CCCO)nc2ncc(-c3ccc(OC)nc3)cc21.

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

The InChIKey is BNYRJLYVRGUMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N6O4/c1-5-12-36-13-10-32-22-14-21(20-7-8-23(35-4)27-16-20)17-29-24(22)30-25(26(32)34)28-15-19(2)18-31(3)9-6-11-33/h7-8,14,16-17,19,33H,5-6,9-13,15,18H2,1-4H3,(H,28,29,30).

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

3-[[3-[3-hydroxypropyl(methyl)amino]-2-methylpropyl]amino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one has a molecular weight of 498.63 g/mol, XLogP of 2.65, 15 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3-[3-hydroxypropyl(methyl)amino]-2-methylpropyl]amino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 143336560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).