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

C20H25N5O4 — CID 11992527

IUPAC3-(2-hydroxyethylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
SMILESCCCOCCn1c(=O)c(NCCO)nc2cnc(-c3ccc(OC)nc3)cc21
InChIInChI=1S/C20H25N5O4/c1-3-9-29-10-7-25-17-11-15(14-4-5-18(28-2)23-12-14)22-13-16(17)24-19(20(25)27)21-6-8-26/h4-5,11-13,26H,3,6-10H2,1-2H3,(H,21,24)
InChIKeyCGLQBTDIDIZFEO-UHFFFAOYSA-N
MW399.45 g/mol
LogP1.69
Rot. Bonds10

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

3-(2-hydroxyethylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one (PubChem CID 11992527) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is 3-(2-hydroxyethylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one.

Molecular Properties

Compound Name3-(2-hydroxyethylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
PubChem CID11992527
Molecular FormulaC20H25N5O4
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC Name3-(2-hydroxyethylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
SMILESCCCOCCn1c(=O)c(NCCO)nc2cnc(-c3ccc(OC)nc3)cc21
InChIInChI=1S/C20H25N5O4/c1-3-9-29-10-7-25-17-11-15(14-4-5-18(28-2)23-12-14)22-13-16(17)24-19(20(25)27)21-6-8-26/h4-5,11-13,26H,3,6-10H2,1-2H3,(H,21,24)
InChIKeyCGLQBTDIDIZFEO-UHFFFAOYSA-N
XLogP1.69
TPSA111.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 51.69
H-Bond Donors ≤ 52
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 3-(2-hydroxyethylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one?
The IUPAC name of 3-(2-hydroxyethylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one (CID 11992527) is 3-(2-hydroxyethylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one.
What is the SMILES notation for 3-(2-hydroxyethylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one?
The canonical SMILES for 3-(2-hydroxyethylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one is CCCOCCn1c(=O)c(NCCO)nc2cnc(-c3ccc(OC)nc3)cc21.
What is the InChIKey of 3-(2-hydroxyethylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one?
The InChIKey is CGLQBTDIDIZFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4/c1-3-9-29-10-7-25-17-11-15(14-4-5-18(28-2)23-12-14)22-13-16(17)24-19(20(25)27)21-6-8-26/h4-5,11-13,26H,3,6-10H2,1-2H3,(H,21,24).
What are the key properties of 3-(2-hydroxyethylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one?
3-(2-hydroxyethylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one has a molecular weight of 399.45 g/mol, XLogP of 1.69, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one is sourced from PubChem (CID 11992527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).