2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide

C24H18N6O4 — CID 122304880

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide
SMILESCC(C(=O)Nc1ccc(Oc2ccc(-n3cccn3)nn2)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H18N6O4/c1-15(30-23(32)18-5-2-3-6-19(18)24(30)33)22(31)26-16-7-9-17(10-8-16)34-21-12-11-20(27-28-21)29-14-4-13-25-29/h2-15H,1H3,(H,26,31)
InChIKeyIUGNVPSVQLAWNT-UHFFFAOYSA-N
MW454.45 g/mol
LogP3.08
Rot. Bonds6

About 2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide

2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide (PubChem CID 122304880) has the molecular formula C24H18N6O4 and a molecular weight of 454.45 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide
PubChem CID122304880
Molecular FormulaC24H18N6O4
Molecular Weight454.45 g/mol
Exact Mass454.14
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide
SMILESCC(C(=O)Nc1ccc(Oc2ccc(-n3cccn3)nn2)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H18N6O4/c1-15(30-23(32)18-5-2-3-6-19(18)24(30)33)22(31)26-16-7-9-17(10-8-16)34-21-12-11-20(27-28-21)29-14-4-13-25-29/h2-15H,1H3,(H,26,31)
InChIKeyIUGNVPSVQLAWNT-UHFFFAOYSA-N
XLogP3.08
TPSA119.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-phenoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide
CID 122304664
1-(2-fluorophenyl)-3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122304699
2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide
CID 3803407
1-methyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]triazole-4-carboxamide
CID 122304842
N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]cyclobutanecarboxamide
CID 122304831
2-(4-fluorophenyl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]acetamide
CID 122304670
3-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122304627
5-chloro-2-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122304662
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 767136
N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]adamantane-1-carboxamide
CID 122304795
3-cyclopentyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide
CID 122304794
2-bromo-5-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122304881

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide (CID 122304880) is 2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide is CC(C(=O)Nc1ccc(Oc2ccc(-n3cccn3)nn2)cc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide?
The InChIKey is IUGNVPSVQLAWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O4/c1-15(30-23(32)18-5-2-3-6-19(18)24(30)33)22(31)26-16-7-9-17(10-8-16)34-21-12-11-20(27-28-21)29-14-4-13-25-29/h2-15H,1H3,(H,26,31).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide?
2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide has a molecular weight of 454.45 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide is sourced from PubChem (CID 122304880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).