4-[2-(4-methoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine

C23H18N6O — CID 6539410

IUPAC4-[2-(4-methoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine
SMILESCOc1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C23H18N6O/c1-30-18-11-9-16(10-12-18)22-21(20-8-5-14-25-29(20)28-22)19-13-15-24-23(27-19)26-17-6-3-2-4-7-17/h2-15H,1H3,(H,24,26,27)
InChIKeyPEMHCZSZBZRPLA-UHFFFAOYSA-N
MW394.44 g/mol
LogP4.61
Rot. Bonds5

About 4-[2-(4-methoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine

4-[2-(4-methoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine (PubChem CID 6539410) has the molecular formula C23H18N6O and a molecular weight of 394.44 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine
PubChem CID6539410
Molecular FormulaC23H18N6O
Molecular Weight394.44 g/mol
Exact Mass394.15
IUPAC Name4-[2-(4-methoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine
SMILESCOc1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C23H18N6O/c1-30-18-11-9-16(10-12-18)22-21(20-8-5-14-25-29(20)28-22)19-13-15-24-23(27-19)26-17-6-3-2-4-7-17/h2-15H,1H3,(H,24,26,27)
InChIKeyPEMHCZSZBZRPLA-UHFFFAOYSA-N
XLogP4.61
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1H-pyrazolo[4,3-c]pyridine
CID 74223726
Ibrutinib N-desacryloyl impurity
CID 58223272
4-[6-[4-(1-Methylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 50997747
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
Pyrazolo[1,5-b]pyridazine deriv. 27
CID 6539369
Pyrazolo[1,5-b]pyridazine deriv. 29
CID 6539371
1H-Pyrazolo[3,4-d]pyriMidin-4-aMine, 1-[trans-4-(4-Methyl-1-piperazinyl)cyclohexyl]-3-(4-phenoxyphenyl)-
CID 6539953
5-(4-Methoxyphenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 44556112
3-(4-Methoxy-3-Methylphenyl)-1-(Piperidin-4-Ylmethyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 56835771
Pci 29732
CID 22347110
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine?
The IUPAC name of 4-[2-(4-methoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine (CID 6539410) is 4-[2-(4-methoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine?
The canonical SMILES for 4-[2-(4-methoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine is COc1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccccc3)n2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine?
The InChIKey is PEMHCZSZBZRPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O/c1-30-18-11-9-16(10-12-18)22-21(20-8-5-14-25-29(20)28-22)19-13-15-24-23(27-19)26-17-6-3-2-4-7-17/h2-15H,1H3,(H,24,26,27).
What are the key properties of 4-[2-(4-methoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine?
4-[2-(4-methoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine has a molecular weight of 394.44 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 6539410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).