1-(4-fluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-5-oxopyrrolidine-3-carboxamide

C24H19FN6O3 — CID 122306329

IUPAC1-(4-fluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(-n3ccnc3)nn2)cc1)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C24H19FN6O3/c25-17-1-5-19(6-2-17)31-14-16(13-23(31)32)24(33)27-18-3-7-20(8-4-18)34-22-10-9-21(28-29-22)30-12-11-26-15-30/h1-12,15-16H,13-14H2,(H,27,33)
InChIKeyPGHVZCGBNQDSES-UHFFFAOYSA-N
MW458.45 g/mol
LogP3.59
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-5-oxopyrrolidine-3-carboxamide

1-(4-fluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 122306329) has the molecular formula C24H19FN6O3 and a molecular weight of 458.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID122306329
Molecular FormulaC24H19FN6O3
Molecular Weight458.45 g/mol
Exact Mass458.15
IUPAC Name1-(4-fluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(-n3ccnc3)nn2)cc1)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C24H19FN6O3/c25-17-1-5-19(6-2-17)31-14-16(13-23(31)32)24(33)27-18-3-7-20(8-4-18)34-22-10-9-21(28-29-22)30-12-11-26-15-30/h1-12,15-16H,13-14H2,(H,27,33)
InChIKeyPGHVZCGBNQDSES-UHFFFAOYSA-N
XLogP3.59
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122305572
1-(3,4-dimethylphenyl)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-5-oxopyrrolidine-3-carboxamide
CID 122306659
N-(4-fluorophenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 579116
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122305571
1-(4-chlorophenyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55956043
2-cyclopropyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]acetamide
CID 122306370
N-(4-fluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514741
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]cyclopropanecarboxamide
CID 122307702
1-(4-chlorophenyl)-5-oxo-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]pyrrolidine-3-carboxamide
CID 122309022
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
1-(3-fluoro-4-methylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122306221
N-(4-acetamidophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2920874

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-5-oxopyrrolidine-3-carboxamide (CID 122306329) is 1-(4-fluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccc(Oc2ccc(-n3ccnc3)nn2)cc1)C1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PGHVZCGBNQDSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN6O3/c25-17-1-5-19(6-2-17)31-14-16(13-23(31)32)24(33)27-18-3-7-20(8-4-18)34-22-10-9-21(28-29-22)30-12-11-26-15-30/h1-12,15-16H,13-14H2,(H,27,33).
What are the key properties of 1-(4-fluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-fluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 458.45 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 122306329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).