7-(6-methoxy-3-pyridinyl)-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one

C24H30N6O4 — CID 11993465

IUPAC7-(6-methoxy-3-pyridinyl)-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
SMILESCCCOCCn1c(=O)c(NCC(=O)N2CCCC2)nc2cnc(-c3ccc(OC)nc3)cc21
InChIInChI=1S/C24H30N6O4/c1-3-11-34-12-10-30-20-13-18(17-6-7-21(33-2)26-14-17)25-15-19(20)28-23(24(30)32)27-16-22(31)29-8-4-5-9-29/h6-7,13-15H,3-5,8-12,16H2,1-2H3,(H,27,28)
InChIKeyCBYYNSKRRKXPFV-UHFFFAOYSA-N
MW466.54 g/mol
LogP2.32
Rot. Bonds10

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

7-(6-methoxy-3-pyridinyl)-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one (PubChem CID 11993465) has the molecular formula C24H30N6O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is 7-(6-methoxy-3-pyridinyl)-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one.

Molecular Properties

Compound Name7-(6-methoxy-3-pyridinyl)-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
PubChem CID11993465
Molecular FormulaC24H30N6O4
Molecular Weight466.54 g/mol
Exact Mass466.23
IUPAC Name7-(6-methoxy-3-pyridinyl)-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
SMILESCCCOCCn1c(=O)c(NCC(=O)N2CCCC2)nc2cnc(-c3ccc(OC)nc3)cc21
InChIInChI=1S/C24H30N6O4/c1-3-11-34-12-10-30-20-13-18(17-6-7-21(33-2)26-14-17)25-15-19(20)28-23(24(30)32)27-16-22(31)29-8-4-5-9-29/h6-7,13-15H,3-5,8-12,16H2,1-2H3,(H,27,28)
InChIKeyCBYYNSKRRKXPFV-UHFFFAOYSA-N
XLogP2.32
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 52.32
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)-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one?
The IUPAC name of 7-(6-methoxy-3-pyridinyl)-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one (CID 11993465) is 7-(6-methoxy-3-pyridinyl)-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one.
What is the SMILES notation for 7-(6-methoxy-3-pyridinyl)-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one?
The canonical SMILES for 7-(6-methoxy-3-pyridinyl)-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one is CCCOCCn1c(=O)c(NCC(=O)N2CCCC2)nc2cnc(-c3ccc(OC)nc3)cc21.
What is the InChIKey of 7-(6-methoxy-3-pyridinyl)-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one?
The InChIKey is CBYYNSKRRKXPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O4/c1-3-11-34-12-10-30-20-13-18(17-6-7-21(33-2)26-14-17)25-15-19(20)28-23(24(30)32)27-16-22(31)29-8-4-5-9-29/h6-7,13-15H,3-5,8-12,16H2,1-2H3,(H,27,28).
What are the key properties of 7-(6-methoxy-3-pyridinyl)-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one?
7-(6-methoxy-3-pyridinyl)-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one has a molecular weight of 466.54 g/mol, XLogP of 2.32, 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)-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one is sourced from PubChem (CID 11993465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).