7-(4-fluoro-3-methylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one

C25H32FN5O3 — CID 24964709

IUPAC7-(4-fluoro-3-methylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
SMILESCCCOCCn1c(=O)c(N2CCN(CCO)CC2)nc2cnc(-c3ccc(F)c(C)c3)cc21
InChIInChI=1S/C25H32FN5O3/c1-3-13-34-14-11-31-23-16-21(19-4-5-20(26)18(2)15-19)27-17-22(23)28-24(25(31)33)30-8-6-29(7-9-30)10-12-32/h4-5,15-17,32H,3,6-14H2,1-2H3
InChIKeyZVWRYJRTXGTMQE-UHFFFAOYSA-N
MW469.56 g/mol
LogP2.45
Rot. Bonds9

About 7-(4-fluoro-3-methylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one

7-(4-fluoro-3-methylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one (PubChem CID 24964709) has the molecular formula C25H32FN5O3 and a molecular weight of 469.56 g/mol. Its IUPAC name is 7-(4-fluoro-3-methylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one.

Molecular Properties

Compound Name7-(4-fluoro-3-methylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
PubChem CID24964709
Molecular FormulaC25H32FN5O3
Molecular Weight469.56 g/mol
Exact Mass469.25
IUPAC Name7-(4-fluoro-3-methylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
SMILESCCCOCCn1c(=O)c(N2CCN(CCO)CC2)nc2cnc(-c3ccc(F)c(C)c3)cc21
InChIInChI=1S/C25H32FN5O3/c1-3-13-34-14-11-31-23-16-21(19-4-5-20(26)18(2)15-19)27-17-22(23)28-24(25(31)33)30-8-6-29(7-9-30)10-12-32/h4-5,15-17,32H,3,6-14H2,1-2H3
InChIKeyZVWRYJRTXGTMQE-UHFFFAOYSA-N
XLogP2.45
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluoro-3-methylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one?
The IUPAC name of 7-(4-fluoro-3-methylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one (CID 24964709) is 7-(4-fluoro-3-methylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one.
What is the SMILES notation for 7-(4-fluoro-3-methylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one?
The canonical SMILES for 7-(4-fluoro-3-methylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one is CCCOCCn1c(=O)c(N2CCN(CCO)CC2)nc2cnc(-c3ccc(F)c(C)c3)cc21.
What is the InChIKey of 7-(4-fluoro-3-methylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one?
The InChIKey is ZVWRYJRTXGTMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN5O3/c1-3-13-34-14-11-31-23-16-21(19-4-5-20(26)18(2)15-19)27-17-22(23)28-24(25(31)33)30-8-6-29(7-9-30)10-12-32/h4-5,15-17,32H,3,6-14H2,1-2H3.
What are the key properties of 7-(4-fluoro-3-methylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one?
7-(4-fluoro-3-methylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one has a molecular weight of 469.56 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluoro-3-methylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one is sourced from PubChem (CID 24964709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).