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

C28H30FN5O3 — CID 143149047

IUPACethane;(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.CC
InChIInChI=1S/C26H24FN5O3.C2H6/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;1-2/h3-13H,2,14-16,28H2,1H3;1-2H3/b7-3-,30-25-;
InChIKeyXJSVOYRBJAYGSS-LLOCPQJVSA-N
MW503.58 g/mol
LogP4.67
Rot. Bonds7

About 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

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 (PubChem CID 143149047) has the molecular formula C28H30FN5O3 and a molecular weight of 503.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethane;(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 CID143149047
Molecular FormulaC28H30FN5O3
Molecular Weight503.58 g/mol
Exact Mass503.23
IUPAC Nameethane;(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.CC
InChIInChI=1S/C26H24FN5O3.C2H6/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;1-2/h3-13H,2,14-16,28H2,1H3;1-2H3/b7-3-,30-25-;
InChIKeyXJSVOYRBJAYGSS-LLOCPQJVSA-N
XLogP4.67
TPSA102.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.58
LogP ≤ 54.67
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'}

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=Nc1c(OCc2ccccc2)c2n(/c(=N\N)c1/C=C\C)C(=O)CN(Cc1ccc(F)cc1)C2=O.CC.
What is the InChIKey of 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?
The InChIKey is XJSVOYRBJAYGSS-LLOCPQJVSA-N. The full InChI is InChI=1S/C26H24FN5O3.C2H6/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;1-2/h3-13H,2,14-16,28H2,1H3;1-2H3/b7-3-,30-25-;.
What are the key properties of 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?
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 has a molecular weight of 503.58 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 143149047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).