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

C24H31N7O4 — CID 11993560

IUPAC7-(6-methoxy-3-pyridinyl)-3-[(2-oxo-2-piperazin-1-ylethyl)amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
SMILESCCCOCCn1c(=O)c(NCC(=O)N2CCNCC2)nc2cnc(-c3ccc(OC)nc3)cc21
InChIInChI=1S/C24H31N7O4/c1-3-11-35-12-10-31-20-13-18(17-4-5-21(34-2)27-14-17)26-15-19(20)29-23(24(31)33)28-16-22(32)30-8-6-25-7-9-30/h4-5,13-15,25H,3,6-12,16H2,1-2H3,(H,28,29)
InChIKeyOSWDEXOTYFSVPF-UHFFFAOYSA-N
MW481.56 g/mol
LogP1.13
Rot. Bonds10

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

7-(6-methoxy-3-pyridinyl)-3-[(2-oxo-2-piperazin-1-ylethyl)amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one (PubChem CID 11993560) has the molecular formula C24H31N7O4 and a molecular weight of 481.56 g/mol. Its IUPAC name is 7-(6-methoxy-3-pyridinyl)-3-[(2-oxo-2-piperazin-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-piperazin-1-ylethyl)amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
PubChem CID11993560
Molecular FormulaC24H31N7O4
Molecular Weight481.56 g/mol
Exact Mass481.24
IUPAC Name7-(6-methoxy-3-pyridinyl)-3-[(2-oxo-2-piperazin-1-ylethyl)amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
SMILESCCCOCCn1c(=O)c(NCC(=O)N2CCNCC2)nc2cnc(-c3ccc(OC)nc3)cc21
InChIInChI=1S/C24H31N7O4/c1-3-11-35-12-10-31-20-13-18(17-4-5-21(34-2)27-14-17)26-15-19(20)29-23(24(31)33)28-16-22(32)30-8-6-25-7-9-30/h4-5,13-15,25H,3,6-12,16H2,1-2H3,(H,28,29)
InChIKeyOSWDEXOTYFSVPF-UHFFFAOYSA-N
XLogP1.13
TPSA123.50 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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-piperazin-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-piperazin-1-ylethyl)amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one (CID 11993560) is 7-(6-methoxy-3-pyridinyl)-3-[(2-oxo-2-piperazin-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-piperazin-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-piperazin-1-ylethyl)amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one is CCCOCCn1c(=O)c(NCC(=O)N2CCNCC2)nc2cnc(-c3ccc(OC)nc3)cc21.
What is the InChIKey of 7-(6-methoxy-3-pyridinyl)-3-[(2-oxo-2-piperazin-1-ylethyl)amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one?
The InChIKey is OSWDEXOTYFSVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O4/c1-3-11-35-12-10-31-20-13-18(17-4-5-21(34-2)27-14-17)26-15-19(20)29-23(24(31)33)28-16-22(32)30-8-6-25-7-9-30/h4-5,13-15,25H,3,6-12,16H2,1-2H3,(H,28,29).
What are the key properties of 7-(6-methoxy-3-pyridinyl)-3-[(2-oxo-2-piperazin-1-ylethyl)amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one?
7-(6-methoxy-3-pyridinyl)-3-[(2-oxo-2-piperazin-1-ylethyl)amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one has a molecular weight of 481.56 g/mol, XLogP of 1.13, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-methoxy-3-pyridinyl)-3-[(2-oxo-2-piperazin-1-ylethyl)amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one is sourced from PubChem (CID 11993560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).