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

C25H20N6O4 — CID 122306357

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(Oc2ccc(-n3ccnc3)nn2)cc1
InChIInChI=1S/C25H20N6O4/c32-22(6-3-14-31-24(33)19-4-1-2-5-20(19)25(31)34)27-17-7-9-18(10-8-17)35-23-12-11-21(28-29-23)30-15-13-26-16-30/h1-2,4-5,7-13,15-16H,3,6,14H2,(H,27,32)
InChIKeyMKDLKBSQNGVDAL-UHFFFAOYSA-N
MW468.47 g/mol
LogP3.47
Rot. Bonds8

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

4-(1,3-dioxoisoindol-2-yl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide (PubChem CID 122306357) has the molecular formula C25H20N6O4 and a molecular weight of 468.47 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide
PubChem CID122306357
Molecular FormulaC25H20N6O4
Molecular Weight468.47 g/mol
Exact Mass468.15
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(Oc2ccc(-n3ccnc3)nn2)cc1
InChIInChI=1S/C25H20N6O4/c32-22(6-3-14-31-24(33)19-4-1-2-5-20(19)25(31)34)27-17-7-9-18(10-8-17)35-23-12-11-21(28-29-23)30-15-13-26-16-30/h1-2,4-5,7-13,15-16H,3,6,14H2,(H,27,32)
InChIKeyMKDLKBSQNGVDAL-UHFFFAOYSA-N
XLogP3.47
TPSA119.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.47
LogP ≤ 53.47
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-cyclopropyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]acetamide
CID 122306370
4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-methoxyphenoxy)phenyl]butanamide
CID 34168388
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]pentanamide
CID 122307637
1-(4-ethylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122306208
4-(1,3-dioxoisoindol-2-yl)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]butanamide
CID 122312828
2-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide
CID 122306127
1-(2-chlorophenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122306214
3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]propanamide
CID 122307676
2-(difluoromethylsulfanyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122306366
1-[3-(difluoromethoxy)phenyl]-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122306276
3-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122306150
N-(4-anilinophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2953922

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide (CID 122306357) is 4-(1,3-dioxoisoindol-2-yl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide is O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(Oc2ccc(-n3ccnc3)nn2)cc1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide?
The InChIKey is MKDLKBSQNGVDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O4/c32-22(6-3-14-31-24(33)19-4-1-2-5-20(19)25(31)34)27-17-7-9-18(10-8-17)35-23-12-11-21(28-29-23)30-15-13-26-16-30/h1-2,4-5,7-13,15-16H,3,6,14H2,(H,27,32).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide has a molecular weight of 468.47 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide is sourced from PubChem (CID 122306357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).