5-chloro-2-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide

C21H16ClN5O3 — CID 122304662

IUPAC5-chloro-2-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(Oc2ccc(-n3cccn3)nn2)cc1
InChIInChI=1S/C21H16ClN5O3/c1-29-18-8-3-14(22)13-17(18)21(28)24-15-4-6-16(7-5-15)30-20-10-9-19(25-26-20)27-12-2-11-23-27/h2-13H,1H3,(H,24,28)
InChIKeySIBGADSFBSDHDS-UHFFFAOYSA-N
MW421.84 g/mol
LogP4.37
Rot. Bonds6

About 5-chloro-2-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide

5-chloro-2-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide (PubChem CID 122304662) has the molecular formula C21H16ClN5O3 and a molecular weight of 421.84 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
PubChem CID122304662
Molecular FormulaC21H16ClN5O3
Molecular Weight421.84 g/mol
Exact Mass421.09
IUPAC Name5-chloro-2-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(Oc2ccc(-n3cccn3)nn2)cc1
InChIInChI=1S/C21H16ClN5O3/c1-29-18-8-3-14(22)13-17(18)21(28)24-15-4-6-16(7-5-15)30-20-10-9-19(25-26-20)27-12-2-11-23-27/h2-13H,1H3,(H,24,28)
InChIKeySIBGADSFBSDHDS-UHFFFAOYSA-N
XLogP4.37
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.84
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122304687
5-chloro-2-methoxy-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122306552
2-bromo-5-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122304881
3-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122304627
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]-1,3-benzodioxole-5-carboxamide
CID 122304656
2-methoxy-5-methyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122304738
1-(2-fluorophenyl)-3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122304699
N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]cyclobutanecarboxamide
CID 122304831
2-phenoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide
CID 122304664
2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide
CID 122304880
2-(4-fluorophenyl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]acetamide
CID 122304670

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide (CID 122304662) is 5-chloro-2-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide is COc1ccc(Cl)cc1C(=O)Nc1ccc(Oc2ccc(-n3cccn3)nn2)cc1.
What is the InChIKey of 5-chloro-2-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide?
The InChIKey is SIBGADSFBSDHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN5O3/c1-29-18-8-3-14(22)13-17(18)21(28)24-15-4-6-16(7-5-15)30-20-10-9-19(25-26-20)27-12-2-11-23-27/h2-13H,1H3,(H,24,28).
What are the key properties of 5-chloro-2-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide?
5-chloro-2-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide has a molecular weight of 421.84 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide is sourced from PubChem (CID 122304662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).