[(6Z)-2-[2-(4-fluorophenyl)ethyl]-6-hydrazinylidene-8-(methylideneamino)-1-oxo-7-prop-1-en-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-9-yl] acetate

C22H24FN5O3 — CID 142885981

IUPAC[(6Z)-2-[2-(4-fluorophenyl)ethyl]-6-hydrazinylidene-8-(methylideneamino)-1-oxo-7-prop-1-en-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-9-yl] acetate
SMILESC=Nc1c(OC(C)=O)c2n(/c(=N\N)c1C(=C)C)CCN(CCc1ccc(F)cc1)C2=O
InChIInChI=1S/C22H24FN5O3/c1-13(2)17-18(25-4)20(31-14(3)29)19-22(30)27(11-12-28(19)21(17)26-24)10-9-15-5-7-16(23)8-6-15/h5-8H,1,4,9-12,24H2,2-3H3/b26-21-
InChIKeyIVCBHEWPHZDPJU-QLYXXIJNSA-N
MW425.46 g/mol
LogP2.39
Rot. Bonds6

About [(6Z)-2-[2-(4-fluorophenyl)ethyl]-6-hydrazinylidene-8-(methylideneamino)-1-oxo-7-prop-1-en-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-9-yl] acetate

[(6Z)-2-[2-(4-fluorophenyl)ethyl]-6-hydrazinylidene-8-(methylideneamino)-1-oxo-7-prop-1-en-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-9-yl] acetate (PubChem CID 142885981) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is [(6Z)-2-[2-(4-fluorophenyl)ethyl]-6-hydrazinylidene-8-(methylideneamino)-1-oxo-7-prop-1-en-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-9-yl] acetate.

Molecular Properties

Compound Name[(6Z)-2-[2-(4-fluorophenyl)ethyl]-6-hydrazinylidene-8-(methylideneamino)-1-oxo-7-prop-1-en-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-9-yl] acetate
PubChem CID142885981
Molecular FormulaC22H24FN5O3
Molecular Weight425.46 g/mol
Exact Mass425.19
IUPAC Name[(6Z)-2-[2-(4-fluorophenyl)ethyl]-6-hydrazinylidene-8-(methylideneamino)-1-oxo-7-prop-1-en-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-9-yl] acetate
SMILESC=Nc1c(OC(C)=O)c2n(/c(=N\N)c1C(=C)C)CCN(CCc1ccc(F)cc1)C2=O
InChIInChI=1S/C22H24FN5O3/c1-13(2)17-18(25-4)20(31-14(3)29)19-22(30)27(11-12-28(19)21(17)26-24)10-9-15-5-7-16(23)8-6-15/h5-8H,1,4,9-12,24H2,2-3H3/b26-21-
InChIKeyIVCBHEWPHZDPJU-QLYXXIJNSA-N
XLogP2.39
TPSA102.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(6E)-7-ethenyl-2-[(4-fluorophenyl)methyl]-6-hydroxyimino-8-(methylideneamino)-1-oxo-3,4-dihydropyrido[1,2-a]pyrazin-9-yl] acetate
CID 143148954
(6Z)-2-[(4-fluorophenyl)methyl]-6-hydrazinylidene-8-(methylideneamino)-9-phenylmethoxy-7-[(Z)-prop-1-enyl]-3H-pyrido[1,2-a]pyrazine-1,4-dione
CID 143149048
ethane;(6Z)-2-[(4-fluorophenyl)methyl]-6-hydrazinylidene-8-(methylideneamino)-9-phenylmethoxy-7-[(Z)-prop-1-enyl]-3H-pyrido[1,2-a]pyrazine-1,4-dione
CID 143149047

Frequently Asked Questions

What is the IUPAC name of [(6Z)-2-[2-(4-fluorophenyl)ethyl]-6-hydrazinylidene-8-(methylideneamino)-1-oxo-7-prop-1-en-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-9-yl] acetate?
The IUPAC name of [(6Z)-2-[2-(4-fluorophenyl)ethyl]-6-hydrazinylidene-8-(methylideneamino)-1-oxo-7-prop-1-en-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-9-yl] acetate (CID 142885981) is [(6Z)-2-[2-(4-fluorophenyl)ethyl]-6-hydrazinylidene-8-(methylideneamino)-1-oxo-7-prop-1-en-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-9-yl] acetate.
What is the SMILES notation for [(6Z)-2-[2-(4-fluorophenyl)ethyl]-6-hydrazinylidene-8-(methylideneamino)-1-oxo-7-prop-1-en-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-9-yl] acetate?
The canonical SMILES for [(6Z)-2-[2-(4-fluorophenyl)ethyl]-6-hydrazinylidene-8-(methylideneamino)-1-oxo-7-prop-1-en-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-9-yl] acetate is C=Nc1c(OC(C)=O)c2n(/c(=N\N)c1C(=C)C)CCN(CCc1ccc(F)cc1)C2=O.
What is the InChIKey of [(6Z)-2-[2-(4-fluorophenyl)ethyl]-6-hydrazinylidene-8-(methylideneamino)-1-oxo-7-prop-1-en-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-9-yl] acetate?
The InChIKey is IVCBHEWPHZDPJU-QLYXXIJNSA-N. The full InChI is InChI=1S/C22H24FN5O3/c1-13(2)17-18(25-4)20(31-14(3)29)19-22(30)27(11-12-28(19)21(17)26-24)10-9-15-5-7-16(23)8-6-15/h5-8H,1,4,9-12,24H2,2-3H3/b26-21-.
What are the key properties of [(6Z)-2-[2-(4-fluorophenyl)ethyl]-6-hydrazinylidene-8-(methylideneamino)-1-oxo-7-prop-1-en-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-9-yl] acetate?
[(6Z)-2-[2-(4-fluorophenyl)ethyl]-6-hydrazinylidene-8-(methylideneamino)-1-oxo-7-prop-1-en-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-9-yl] acetate has a molecular weight of 425.46 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(6Z)-2-[2-(4-fluorophenyl)ethyl]-6-hydrazinylidene-8-(methylideneamino)-1-oxo-7-prop-1-en-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-9-yl] acetate is sourced from PubChem (CID 142885981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).