N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(3-methoxyphenoxy)acetamide

C24H23N5O4 — CID 122305558

IUPACN-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)Nc2ccc(Oc3ccc(-n4nc(C)cc4C)nn3)cc2)c1
InChIInChI=1S/C24H23N5O4/c1-16-13-17(2)29(28-16)22-11-12-24(27-26-22)33-19-9-7-18(8-10-19)25-23(30)15-32-21-6-4-5-20(14-21)31-3/h4-14H,15H2,1-3H3,(H,25,30)
InChIKeyFAVRPGKCZGIULU-UHFFFAOYSA-N
MW445.48 g/mol
LogP4.10
Rot. Bonds8

About N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(3-methoxyphenoxy)acetamide

N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(3-methoxyphenoxy)acetamide (PubChem CID 122305558) has the molecular formula C24H23N5O4 and a molecular weight of 445.48 g/mol. Its IUPAC name is N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(3-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(3-methoxyphenoxy)acetamide
PubChem CID122305558
Molecular FormulaC24H23N5O4
Molecular Weight445.48 g/mol
Exact Mass445.18
IUPAC NameN-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)Nc2ccc(Oc3ccc(-n4nc(C)cc4C)nn3)cc2)c1
InChIInChI=1S/C24H23N5O4/c1-16-13-17(2)29(28-16)22-11-12-24(27-26-22)33-19-9-7-18(8-10-19)25-23(30)15-32-21-6-4-5-20(14-21)31-3/h4-14H,15H2,1-3H3,(H,25,30)
InChIKeyFAVRPGKCZGIULU-UHFFFAOYSA-N
XLogP4.10
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(4-methoxyphenyl)acetamide
CID 122305406
1-(3,5-dimethoxyphenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
CID 122305444
2-(4-methoxyphenoxy)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
CID 122305937
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]pentanamide
CID 122305368
1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(4-methoxy-2-methylphenyl)urea
CID 122305447
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3,4-dimethoxybenzamide
CID 122305386
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenoxybenzamide
CID 122305588
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122305571
2-(1-adamantyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
CID 122305612
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]furan-2-carboxamide
CID 122305413
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenylbutanamide
CID 122305435
1-(3,5-difluorophenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
CID 122305448

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(3-methoxyphenoxy)acetamide?
The IUPAC name of N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(3-methoxyphenoxy)acetamide (CID 122305558) is N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(3-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(3-methoxyphenoxy)acetamide?
The canonical SMILES for N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(3-methoxyphenoxy)acetamide is COc1cccc(OCC(=O)Nc2ccc(Oc3ccc(-n4nc(C)cc4C)nn3)cc2)c1.
What is the InChIKey of N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(3-methoxyphenoxy)acetamide?
The InChIKey is FAVRPGKCZGIULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4/c1-16-13-17(2)29(28-16)22-11-12-24(27-26-22)33-19-9-7-18(8-10-19)25-23(30)15-32-21-6-4-5-20(14-21)31-3/h4-14H,15H2,1-3H3,(H,25,30).
What are the key properties of N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(3-methoxyphenoxy)acetamide?
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(3-methoxyphenoxy)acetamide has a molecular weight of 445.48 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(3-methoxyphenoxy)acetamide is sourced from PubChem (CID 122305558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).