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

C24H30FN5O3 — CID 24965424

IUPAC7-(2-fluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
SMILESCCCOCCn1c(=O)c(N2CCN(CCO)CC2)nc2cnc(-c3ccccc3F)cc21
InChIInChI=1S/C24H30FN5O3/c1-2-14-33-15-12-30-22-16-20(18-5-3-4-6-19(18)25)26-17-21(22)27-23(24(30)32)29-9-7-28(8-10-29)11-13-31/h3-6,16-17,31H,2,7-15H2,1H3
InChIKeyQAICVOHXYNMHJJ-UHFFFAOYSA-N
MW455.53 g/mol
LogP2.14
Rot. Bonds9

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

7-(2-fluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one (PubChem CID 24965424) has the molecular formula C24H30FN5O3 and a molecular weight of 455.53 g/mol. Its IUPAC name is 7-(2-fluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one.

Molecular Properties

Compound Name7-(2-fluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
PubChem CID24965424
Molecular FormulaC24H30FN5O3
Molecular Weight455.53 g/mol
Exact Mass455.23
IUPAC Name7-(2-fluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
SMILESCCCOCCn1c(=O)c(N2CCN(CCO)CC2)nc2cnc(-c3ccccc3F)cc21
InChIInChI=1S/C24H30FN5O3/c1-2-14-33-15-12-30-22-16-20(18-5-3-4-6-19(18)25)26-17-21(22)27-23(24(30)32)29-9-7-28(8-10-29)11-13-31/h3-6,16-17,31H,2,7-15H2,1H3
InChIKeyQAICVOHXYNMHJJ-UHFFFAOYSA-N
XLogP2.14
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 52.14
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-fluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one?
The IUPAC name of 7-(2-fluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one (CID 24965424) is 7-(2-fluorophenyl)-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-fluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one?
The canonical SMILES for 7-(2-fluorophenyl)-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(-c3ccccc3F)cc21.
What is the InChIKey of 7-(2-fluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one?
The InChIKey is QAICVOHXYNMHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O3/c1-2-14-33-15-12-30-22-16-20(18-5-3-4-6-19(18)25)26-17-21(22)27-23(24(30)32)29-9-7-28(8-10-29)11-13-31/h3-6,16-17,31H,2,7-15H2,1H3.
What are the key properties of 7-(2-fluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one?
7-(2-fluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one has a molecular weight of 455.53 g/mol, XLogP of 2.14, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one is sourced from PubChem (CID 24965424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).