N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-3-(tetrazol-1-yl)benzamide

C23H20N10O — CID 122292555

IUPACN-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-3-(tetrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(Nc3ccc(NC(=O)c4cccc(-n5cnnn5)c4)cc3)nn2)n1
InChIInChI=1S/C23H20N10O/c1-15-12-16(2)33(29-15)22-11-10-21(27-28-22)25-18-6-8-19(9-7-18)26-23(34)17-4-3-5-20(13-17)32-14-24-30-31-32/h3-14H,1-2H3,(H,25,27)(H,26,34)
InChIKeyCRWAEBDQLODKJG-UHFFFAOYSA-N
MW452.48 g/mol
LogP3.25
Rot. Bonds6

About N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-3-(tetrazol-1-yl)benzamide

N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 122292555) has the molecular formula C23H20N10O and a molecular weight of 452.48 g/mol. Its IUPAC name is N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-3-(tetrazol-1-yl)benzamide
PubChem CID122292555
Molecular FormulaC23H20N10O
Molecular Weight452.48 g/mol
Exact Mass452.18
IUPAC NameN-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-3-(tetrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(Nc3ccc(NC(=O)c4cccc(-n5cnnn5)c4)cc3)nn2)n1
InChIInChI=1S/C23H20N10O/c1-15-12-16(2)33(29-15)22-11-10-21(27-28-22)25-18-6-8-19(9-7-18)26-23(34)17-4-3-5-20(13-17)32-14-24-30-31-32/h3-14H,1-2H3,(H,25,27)(H,26,34)
InChIKeyCRWAEBDQLODKJG-UHFFFAOYSA-N
XLogP3.25
TPSA128.33 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.48
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

3-(dimethylamino)-N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzamide
CID 122292500
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 122292441
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-(tetrazol-1-yl)benzamide
CID 122296448
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-1,3-benzothiazole-6-carboxamide
CID 122292452
N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
methyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 862155
N-[4-(diethylamino)phenyl]-3-(tetrazol-1-yl)benzamide
CID 22110521
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-methoxypyridine-3-carboxamide
CID 122292561
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-(3-methylphenyl)acetamide
CID 122292474
N-(4-bromo-3-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 26363553
N-[4-(dimethylsulfamoyl)phenyl]-3-(tetrazol-1-yl)benzamide
CID 9494536
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-pyrazol-1-ylacetamide
CID 122292562

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-3-(tetrazol-1-yl)benzamide (CID 122292555) is N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-3-(tetrazol-1-yl)benzamide is Cc1cc(C)n(-c2ccc(Nc3ccc(NC(=O)c4cccc(-n5cnnn5)c4)cc3)nn2)n1.
What is the InChIKey of N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is CRWAEBDQLODKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N10O/c1-15-12-16(2)33(29-15)22-11-10-21(27-28-22)25-18-6-8-19(9-7-18)26-23(34)17-4-3-5-20(13-17)32-14-24-30-31-32/h3-14H,1-2H3,(H,25,27)(H,26,34).
What are the key properties of N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-3-(tetrazol-1-yl)benzamide?
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 452.48 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 122292555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).