(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

C26H24FN5O3 — CID 143149048

IUPAC(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
SMILESC=Nc1c(OCc2ccccc2)c2n(/c(=N\N)c1/C=C\C)C(=O)CN(Cc1ccc(F)cc1)C2=O
InChIInChI=1S/C26H24FN5O3/c1-3-7-20-22(29-2)24(35-16-18-8-5-4-6-9-18)23-26(34)31(14-17-10-12-19(27)13-11-17)15-21(33)32(23)25(20)30-28/h3-13H,2,14-16,28H2,1H3/b7-3-,30-25-
InChIKeyFPKYUQWTEHJRLT-YGWLCWFWSA-N
MW473.51 g/mol
LogP3.64
Rot. Bonds7

About (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

(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 (PubChem CID 143149048) has the molecular formula C26H24FN5O3 and a molecular weight of 473.51 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID143149048
Molecular FormulaC26H24FN5O3
Molecular Weight473.51 g/mol
Exact Mass473.19
IUPAC Name(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
SMILESC=Nc1c(OCc2ccccc2)c2n(/c(=N\N)c1/C=C\C)C(=O)CN(Cc1ccc(F)cc1)C2=O
InChIInChI=1S/C26H24FN5O3/c1-3-7-20-22(29-2)24(35-16-18-8-5-4-6-9-18)23-26(34)31(14-17-10-12-19(27)13-11-17)15-21(33)32(23)25(20)30-28/h3-13H,2,14-16,28H2,1H3/b7-3-,30-25-
InChIKeyFPKYUQWTEHJRLT-YGWLCWFWSA-N
XLogP3.64
TPSA102.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 53.64
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

9-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-3-hydroxy-7-morpholino-4-oxo-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 54733276
9-(benzyloxymethyl)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54686288
9-(benzyloxymethyl)-N-[(4-fluorophenyl)methyl]-3-hydroxy-8-methyl-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54686290
8-acetyl-9-(benzyloxymethyl)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54698261
N-(4-fluoro-2-iodobenzyl)-3-(benzyloxy)-9,9-dimethyl-4-oxo-4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 21070019
N-(4-Fluorobenzyl)-3-(benzyloxy)-9-methyl-4-oxo-4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 21070030
N-(4-Fluorobenzyl)-3-(benzyloxy)-N-methoxy-9,9-dimethyl-4-oxo-4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 21070031
N-(4-Fluorobenzyl)-3-hydroxy-9-(benzyloxy)-4-oxo-4H-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 57855387
N-[4-[(4-fluorophenyl)methylcarbamoyl]-6-oxo-5-phenylmethoxy-3,7-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-1-yl]-N',N'-dimethyloxamide
CID 57905324
[(6E)-2-[(4-fluorophenyl)methyl]-6-hydrazinylidene-1-oxo-3,4-dihydropyrazino[1,2-b]isoquinolin-11-yl] acetate
CID 58652817
N-[(4-fluoro-2-methylphenyl)methyl]-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 58703935
3-Benzyloxy-7-iodo-4-oxo-4H-pyrido[1,2-a]pyrimidine-2-carboxylic acid 4-fluoro-benzylamide
CID 59392886

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=Nc1c(OCc2ccccc2)c2n(/c(=N\N)c1/C=C\C)C(=O)CN(Cc1ccc(F)cc1)C2=O.
What is the InChIKey of (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?
The InChIKey is FPKYUQWTEHJRLT-YGWLCWFWSA-N. The full InChI is InChI=1S/C26H24FN5O3/c1-3-7-20-22(29-2)24(35-16-18-8-5-4-6-9-18)23-26(34)31(14-17-10-12-19(27)13-11-17)15-21(33)32(23)25(20)30-28/h3-13H,2,14-16,28H2,1H3/b7-3-,30-25-.
What are the key properties of (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?
(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 has a molecular weight of 473.51 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 143149048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).