6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-[(E)-2-(3-morpholin-4-ylphenyl)ethenyl]pyridazin-3-imine

C26H25FN6O — CID 126607462

IUPAC6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-[(E)-2-(3-morpholin-4-ylphenyl)ethenyl]pyridazin-3-imine
SMILES[H]/N=c1\ccc(-c2cn(C)nc2-c2ccc(F)cc2)nn1/C=C/c1cccc(N2CCOCC2)c1
InChIInChI=1S/C26H25FN6O/c1-31-18-23(26(30-31)20-5-7-21(27)8-6-20)24-9-10-25(28)33(29-24)12-11-19-3-2-4-22(17-19)32-13-15-34-16-14-32/h2-12,17-18,28H,13-16H2,1H3/b12-11+,28-25+
InChIKeyYPLROKMHMZVPHZ-OPVZRGRCSA-N
MW456.53 g/mol
LogP4.03
Rot. Bonds5

About 6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-[(E)-2-(3-morpholin-4-ylphenyl)ethenyl]pyridazin-3-imine

6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-[(E)-2-(3-morpholin-4-ylphenyl)ethenyl]pyridazin-3-imine (PubChem CID 126607462) has the molecular formula C26H25FN6O and a molecular weight of 456.53 g/mol. Its IUPAC name is 6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-[(E)-2-(3-morpholin-4-ylphenyl)ethenyl]pyridazin-3-imine.

Molecular Properties

Compound Name6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-[(E)-2-(3-morpholin-4-ylphenyl)ethenyl]pyridazin-3-imine
PubChem CID126607462
Molecular FormulaC26H25FN6O
Molecular Weight456.53 g/mol
Exact Mass456.21
IUPAC Name6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-[(E)-2-(3-morpholin-4-ylphenyl)ethenyl]pyridazin-3-imine
SMILES[H]/N=c1\ccc(-c2cn(C)nc2-c2ccc(F)cc2)nn1/C=C/c1cccc(N2CCOCC2)c1
InChIInChI=1S/C26H25FN6O/c1-31-18-23(26(30-31)20-5-7-21(27)8-6-20)24-9-10-25(28)33(29-24)12-11-19-3-2-4-22(17-19)32-13-15-34-16-14-32/h2-12,17-18,28H,13-16H2,1H3/b12-11+,28-25+
InChIKeyYPLROKMHMZVPHZ-OPVZRGRCSA-N
XLogP4.03
TPSA71.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

US12391696, Example 1
CID 155591380
N-{[1-(2,4-difluorophenyl)-3-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}-2-methoxy-N-methylethanamine
CID 16187753
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 16188428
1-[(1-allyl-3-methyl-pyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidine-4-carboxamide
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3-Fluoro-14-oxa-7,11,18,19,22-pentazapentacyclo[13.5.2.28,11.12,6.018,21]pentacosa-1(21),2,4,6(25),15(22),16,19-heptaene
CID 118975170
N-[(E)-(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]-N-(4-morpholinyl)amine
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N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-(2-methoxyethyl)propan-2-amine
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1-[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-methyl-N-(tetrahydro-2H-pyran-2-ylmethyl)methanamine
CID 16190145
1-[[3-(2-Fluorophenyl)-1-methyl-4-pyrazolyl]methyl]-3-propoxypiperidine
CID 16192474
2-{4-[({[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}amino)methyl]-1-piperidinyl}ethanol
CID 42210143
1-[1-(2,4-difluorophenyl)-3-(o-tolyl)pyrazol-4-yl]-N-[[1-(2-methoxyethyl)-4-piperidyl]methyl]methanamine
CID 72545820
4-{[1-(2,5-dimethylphenyl)-3-phenyl-1H-pyrazol-4-yl]methyl}morpholine
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Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-[(E)-2-(3-morpholin-4-ylphenyl)ethenyl]pyridazin-3-imine?
The IUPAC name of 6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-[(E)-2-(3-morpholin-4-ylphenyl)ethenyl]pyridazin-3-imine (CID 126607462) is 6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-[(E)-2-(3-morpholin-4-ylphenyl)ethenyl]pyridazin-3-imine.
What is the SMILES notation for 6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-[(E)-2-(3-morpholin-4-ylphenyl)ethenyl]pyridazin-3-imine?
The canonical SMILES for 6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-[(E)-2-(3-morpholin-4-ylphenyl)ethenyl]pyridazin-3-imine is [H]/N=c1\ccc(-c2cn(C)nc2-c2ccc(F)cc2)nn1/C=C/c1cccc(N2CCOCC2)c1.
What is the InChIKey of 6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-[(E)-2-(3-morpholin-4-ylphenyl)ethenyl]pyridazin-3-imine?
The InChIKey is YPLROKMHMZVPHZ-OPVZRGRCSA-N. The full InChI is InChI=1S/C26H25FN6O/c1-31-18-23(26(30-31)20-5-7-21(27)8-6-20)24-9-10-25(28)33(29-24)12-11-19-3-2-4-22(17-19)32-13-15-34-16-14-32/h2-12,17-18,28H,13-16H2,1H3/b12-11+,28-25+.
What are the key properties of 6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-[(E)-2-(3-morpholin-4-ylphenyl)ethenyl]pyridazin-3-imine?
6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-[(E)-2-(3-morpholin-4-ylphenyl)ethenyl]pyridazin-3-imine has a molecular weight of 456.53 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-[(E)-2-(3-morpholin-4-ylphenyl)ethenyl]pyridazin-3-imine is sourced from PubChem (CID 126607462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).