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

C25H28N6O3 — CID 11993462

IUPAC7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(2-pyridin-2-ylethylamino)pyrido[3,4-b]pyrazin-2-one
SMILESCCCOCCn1c(=O)c(NCCc2ccccn2)nc2cnc(-c3ccc(OC)nc3)cc21
InChIInChI=1S/C25H28N6O3/c1-3-13-34-14-12-31-22-15-20(18-7-8-23(33-2)29-16-18)28-17-21(22)30-24(25(31)32)27-11-9-19-6-4-5-10-26-19/h4-8,10,15-17H,3,9,11-14H2,1-2H3,(H,27,30)
InChIKeyJDKOACBPJUCCHU-UHFFFAOYSA-N
MW460.54 g/mol
LogP3.34
Rot. Bonds11

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

7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(2-pyridin-2-ylethylamino)pyrido[3,4-b]pyrazin-2-one (PubChem CID 11993462) has the molecular formula C25H28N6O3 and a molecular weight of 460.54 g/mol. Its IUPAC name is 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(2-pyridin-2-ylethylamino)pyrido[3,4-b]pyrazin-2-one.

Molecular Properties

Compound Name7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(2-pyridin-2-ylethylamino)pyrido[3,4-b]pyrazin-2-one
PubChem CID11993462
Molecular FormulaC25H28N6O3
Molecular Weight460.54 g/mol
Exact Mass460.22
IUPAC Name7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(2-pyridin-2-ylethylamino)pyrido[3,4-b]pyrazin-2-one
SMILESCCCOCCn1c(=O)c(NCCc2ccccn2)nc2cnc(-c3ccc(OC)nc3)cc21
InChIInChI=1S/C25H28N6O3/c1-3-13-34-14-12-31-22-15-20(18-7-8-23(33-2)29-16-18)28-17-21(22)30-24(25(31)32)27-11-9-19-6-4-5-10-26-19/h4-8,10,15-17H,3,9,11-14H2,1-2H3,(H,27,30)
InChIKeyJDKOACBPJUCCHU-UHFFFAOYSA-N
XLogP3.34
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(2-pyridin-2-ylethylamino)pyrido[3,4-b]pyrazin-2-one?
The IUPAC name of 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(2-pyridin-2-ylethylamino)pyrido[3,4-b]pyrazin-2-one (CID 11993462) is 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(2-pyridin-2-ylethylamino)pyrido[3,4-b]pyrazin-2-one.
What is the SMILES notation for 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(2-pyridin-2-ylethylamino)pyrido[3,4-b]pyrazin-2-one?
The canonical SMILES for 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(2-pyridin-2-ylethylamino)pyrido[3,4-b]pyrazin-2-one is CCCOCCn1c(=O)c(NCCc2ccccn2)nc2cnc(-c3ccc(OC)nc3)cc21.
What is the InChIKey of 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(2-pyridin-2-ylethylamino)pyrido[3,4-b]pyrazin-2-one?
The InChIKey is JDKOACBPJUCCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3/c1-3-13-34-14-12-31-22-15-20(18-7-8-23(33-2)29-16-18)28-17-21(22)30-24(25(31)32)27-11-9-19-6-4-5-10-26-19/h4-8,10,15-17H,3,9,11-14H2,1-2H3,(H,27,30).
What are the key properties of 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(2-pyridin-2-ylethylamino)pyrido[3,4-b]pyrazin-2-one?
7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(2-pyridin-2-ylethylamino)pyrido[3,4-b]pyrazin-2-one has a molecular weight of 460.54 g/mol, XLogP of 3.34, 11 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-(2-pyridin-2-ylethylamino)pyrido[3,4-b]pyrazin-2-one is sourced from PubChem (CID 11993462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).