1-(3,5-dimethoxyphenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea

C24H24N6O4 — CID 122305444

IUPAC1-(3,5-dimethoxyphenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
SMILESCOc1cc(NC(=O)Nc2ccc(Oc3ccc(-n4nc(C)cc4C)nn3)cc2)cc(OC)c1
InChIInChI=1S/C24H24N6O4/c1-15-11-16(2)30(29-15)22-9-10-23(28-27-22)34-19-7-5-17(6-8-19)25-24(31)26-18-12-20(32-3)14-21(13-18)33-4/h5-14H,1-4H3,(H2,25,26,31)
InChIKeyMPNWWKBAAVHPOW-UHFFFAOYSA-N
MW460.49 g/mol
LogP4.73
Rot. Bonds7

About 1-(3,5-dimethoxyphenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea

1-(3,5-dimethoxyphenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea (PubChem CID 122305444) has the molecular formula C24H24N6O4 and a molecular weight of 460.49 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
PubChem CID122305444
Molecular FormulaC24H24N6O4
Molecular Weight460.49 g/mol
Exact Mass460.19
IUPAC Name1-(3,5-dimethoxyphenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
SMILESCOc1cc(NC(=O)Nc2ccc(Oc3ccc(-n4nc(C)cc4C)nn3)cc2)cc(OC)c1
InChIInChI=1S/C24H24N6O4/c1-15-11-16(2)30(29-15)22-9-10-23(28-27-22)34-19-7-5-17(6-8-19)25-24(31)26-18-12-20(32-3)14-21(13-18)33-4/h5-14H,1-4H3,(H2,25,26,31)
InChIKeyMPNWWKBAAVHPOW-UHFFFAOYSA-N
XLogP4.73
TPSA112.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(4-methoxy-2-methylphenyl)urea
CID 122305447
1-(3,5-difluorophenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
CID 122305448
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(4-methoxyphenyl)acetamide
CID 122305406
1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-thiophen-2-ylurea
CID 122305717
1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(2-fluorophenyl)urea
CID 122305455
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(3-methoxyphenoxy)acetamide
CID 122305558
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3,4-dimethoxybenzamide
CID 122305386
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
CID 122305466
1-(3,5-dimethoxyphenyl)-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122307713
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenoxybenzamide
CID 122305588
4-chloro-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122305395
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]pentanamide
CID 122305368

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea (CID 122305444) is 1-(3,5-dimethoxyphenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea is COc1cc(NC(=O)Nc2ccc(Oc3ccc(-n4nc(C)cc4C)nn3)cc2)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea?
The InChIKey is MPNWWKBAAVHPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O4/c1-15-11-16(2)30(29-15)22-9-10-23(28-27-22)34-19-7-5-17(6-8-19)25-24(31)26-18-12-20(32-3)14-21(13-18)33-4/h5-14H,1-4H3,(H2,25,26,31).
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea?
1-(3,5-dimethoxyphenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea has a molecular weight of 460.49 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea is sourced from PubChem (CID 122305444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).