6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-[(E)-2-(5-pyrrolidin-1-yl-2-pyridinyl)ethenyl]pyridazin-3-imine

C25H24FN7 — CID 126607717

IUPAC6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-[(E)-2-(5-pyrrolidin-1-yl-2-pyridinyl)ethenyl]pyridazin-3-imine
SMILES[H]/N=c1\ccc(-c2cn(C)nc2-c2ccc(F)cc2)nn1/C=C/c1ccc(N2CCCC2)cn1
InChIInChI=1S/C25H24FN7/c1-31-17-22(25(30-31)18-4-6-19(26)7-5-18)23-10-11-24(27)33(29-23)15-12-20-8-9-21(16-28-20)32-13-2-3-14-32/h4-12,15-17,27H,2-3,13-14H2,1H3/b15-12+,27-24+
InChIKeySWROHKNOCXIKAL-LYDMCEBASA-N
MW441.51 g/mol
LogP4.19
Rot. Bonds5

About 6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-[(E)-2-(5-pyrrolidin-1-yl-2-pyridinyl)ethenyl]pyridazin-3-imine

6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-[(E)-2-(5-pyrrolidin-1-yl-2-pyridinyl)ethenyl]pyridazin-3-imine (PubChem CID 126607717) has the molecular formula C25H24FN7 and a molecular weight of 441.51 g/mol. Its IUPAC name is 6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-[(E)-2-(5-pyrrolidin-1-yl-2-pyridinyl)ethenyl]pyridazin-3-imine.

Molecular Properties

Compound Name6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-[(E)-2-(5-pyrrolidin-1-yl-2-pyridinyl)ethenyl]pyridazin-3-imine
PubChem CID126607717
Molecular FormulaC25H24FN7
Molecular Weight441.51 g/mol
Exact Mass441.21
IUPAC Name6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-[(E)-2-(5-pyrrolidin-1-yl-2-pyridinyl)ethenyl]pyridazin-3-imine
SMILES[H]/N=c1\ccc(-c2cn(C)nc2-c2ccc(F)cc2)nn1/C=C/c1ccc(N2CCCC2)cn1
InChIInChI=1S/C25H24FN7/c1-31-17-22(25(30-31)18-4-6-19(26)7-5-18)23-10-11-24(27)33(29-23)15-12-20-8-9-21(16-28-20)32-13-2-3-14-32/h4-12,15-17,27H,2-3,13-14H2,1H3/b15-12+,27-24+
InChIKeySWROHKNOCXIKAL-LYDMCEBASA-N
XLogP4.19
TPSA75.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-[(E)-2-(5-pyrrolidin-1-yl-2-pyridinyl)ethenyl]pyridazin-3-imine?
The IUPAC name of 6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-[(E)-2-(5-pyrrolidin-1-yl-2-pyridinyl)ethenyl]pyridazin-3-imine (CID 126607717) is 6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-[(E)-2-(5-pyrrolidin-1-yl-2-pyridinyl)ethenyl]pyridazin-3-imine.
What is the SMILES notation for 6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-[(E)-2-(5-pyrrolidin-1-yl-2-pyridinyl)ethenyl]pyridazin-3-imine?
The canonical SMILES for 6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-[(E)-2-(5-pyrrolidin-1-yl-2-pyridinyl)ethenyl]pyridazin-3-imine is [H]/N=c1\ccc(-c2cn(C)nc2-c2ccc(F)cc2)nn1/C=C/c1ccc(N2CCCC2)cn1.
What is the InChIKey of 6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-[(E)-2-(5-pyrrolidin-1-yl-2-pyridinyl)ethenyl]pyridazin-3-imine?
The InChIKey is SWROHKNOCXIKAL-LYDMCEBASA-N. The full InChI is InChI=1S/C25H24FN7/c1-31-17-22(25(30-31)18-4-6-19(26)7-5-18)23-10-11-24(27)33(29-23)15-12-20-8-9-21(16-28-20)32-13-2-3-14-32/h4-12,15-17,27H,2-3,13-14H2,1H3/b15-12+,27-24+.
What are the key properties of 6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-[(E)-2-(5-pyrrolidin-1-yl-2-pyridinyl)ethenyl]pyridazin-3-imine?
6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-[(E)-2-(5-pyrrolidin-1-yl-2-pyridinyl)ethenyl]pyridazin-3-imine has a molecular weight of 441.51 g/mol, XLogP of 4.19, 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-(5-pyrrolidin-1-yl-2-pyridinyl)ethenyl]pyridazin-3-imine is sourced from PubChem (CID 126607717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).