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

C24H29F2N5O3 — CID 24964710

IUPAC7-(2,3-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
SMILESCCCOCCn1c(=O)c(N2CCN(CCO)CC2)nc2cnc(-c3cccc(F)c3F)cc21
InChIInChI=1S/C24H29F2N5O3/c1-2-13-34-14-11-31-21-15-19(17-4-3-5-18(25)22(17)26)27-16-20(21)28-23(24(31)33)30-8-6-29(7-9-30)10-12-32/h3-5,15-16,32H,2,6-14H2,1H3
InChIKeyZSNODUPUFUVGAV-UHFFFAOYSA-N
MW473.52 g/mol
LogP2.28
Rot. Bonds9

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

7-(2,3-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one (PubChem CID 24964710) has the molecular formula C24H29F2N5O3 and a molecular weight of 473.52 g/mol. Its IUPAC name is 7-(2,3-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one.

Molecular Properties

Compound Name7-(2,3-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
PubChem CID24964710
Molecular FormulaC24H29F2N5O3
Molecular Weight473.52 g/mol
Exact Mass473.22
IUPAC Name7-(2,3-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
SMILESCCCOCCn1c(=O)c(N2CCN(CCO)CC2)nc2cnc(-c3cccc(F)c3F)cc21
InChIInChI=1S/C24H29F2N5O3/c1-2-13-34-14-11-31-21-15-19(17-4-3-5-18(25)22(17)26)27-16-20(21)28-23(24(31)33)30-8-6-29(7-9-30)10-12-32/h3-5,15-16,32H,2,6-14H2,1H3
InChIKeyZSNODUPUFUVGAV-UHFFFAOYSA-N
XLogP2.28
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.52
LogP ≤ 52.28
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-(2,3-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one?
The IUPAC name of 7-(2,3-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one (CID 24964710) is 7-(2,3-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one.
What is the SMILES notation for 7-(2,3-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one?
The canonical SMILES for 7-(2,3-difluorophenyl)-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(-c3cccc(F)c3F)cc21.
What is the InChIKey of 7-(2,3-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one?
The InChIKey is ZSNODUPUFUVGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N5O3/c1-2-13-34-14-11-31-21-15-19(17-4-3-5-18(25)22(17)26)27-16-20(21)28-23(24(31)33)30-8-6-29(7-9-30)10-12-32/h3-5,15-16,32H,2,6-14H2,1H3.
What are the key properties of 7-(2,3-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one?
7-(2,3-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one has a molecular weight of 473.52 g/mol, XLogP of 2.28, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one is sourced from PubChem (CID 24964710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).