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

C24H26N6O3 — CID 11993170

IUPAC7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(pyridin-2-ylmethylamino)pyrido[3,4-b]pyrazin-2-one
SMILESCCCOCCn1c(=O)c(NCc2ccccn2)nc2cnc(-c3ccc(OC)nc3)cc21
InChIInChI=1S/C24H26N6O3/c1-3-11-33-12-10-30-21-13-19(17-7-8-22(32-2)27-14-17)26-16-20(21)29-23(24(30)31)28-15-18-6-4-5-9-25-18/h4-9,13-14,16H,3,10-12,15H2,1-2H3,(H,28,29)
InChIKeyZYHQEODROZFYKV-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.30
Rot. Bonds10

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

7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(pyridin-2-ylmethylamino)pyrido[3,4-b]pyrazin-2-one (PubChem CID 11993170) 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[3,4-b]pyrazin-2-one.

Molecular Properties

Compound Name7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(pyridin-2-ylmethylamino)pyrido[3,4-b]pyrazin-2-one
PubChem CID11993170
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC Name7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(pyridin-2-ylmethylamino)pyrido[3,4-b]pyrazin-2-one
SMILESCCCOCCn1c(=O)c(NCc2ccccn2)nc2cnc(-c3ccc(OC)nc3)cc21
InChIInChI=1S/C24H26N6O3/c1-3-11-33-12-10-30-21-13-19(17-7-8-22(32-2)27-14-17)26-16-20(21)29-23(24(30)31)28-15-18-6-4-5-9-25-18/h4-9,13-14,16H,3,10-12,15H2,1-2H3,(H,28,29)
InChIKeyZYHQEODROZFYKV-UHFFFAOYSA-N
XLogP3.30
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.30
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-(pyridin-2-ylmethylamino)pyrido[3,4-b]pyrazin-2-one?
The IUPAC name of 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(pyridin-2-ylmethylamino)pyrido[3,4-b]pyrazin-2-one (CID 11993170) is 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(pyridin-2-ylmethylamino)pyrido[3,4-b]pyrazin-2-one.
What is the SMILES notation for 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(pyridin-2-ylmethylamino)pyrido[3,4-b]pyrazin-2-one?
The canonical SMILES for 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(pyridin-2-ylmethylamino)pyrido[3,4-b]pyrazin-2-one is CCCOCCn1c(=O)c(NCc2ccccn2)nc2cnc(-c3ccc(OC)nc3)cc21.
What is the InChIKey of 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(pyridin-2-ylmethylamino)pyrido[3,4-b]pyrazin-2-one?
The InChIKey is ZYHQEODROZFYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-3-11-33-12-10-30-21-13-19(17-7-8-22(32-2)27-14-17)26-16-20(21)29-23(24(30)31)28-15-18-6-4-5-9-25-18/h4-9,13-14,16H,3,10-12,15H2,1-2H3,(H,28,29).
What are the key properties of 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(pyridin-2-ylmethylamino)pyrido[3,4-b]pyrazin-2-one?
7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(pyridin-2-ylmethylamino)pyrido[3,4-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[3,4-b]pyrazin-2-one is sourced from PubChem (CID 11993170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).