4-[5-methyl-3-(7-oxo-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-4-yl)-1-phenylpyrazol-4-yl]-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one

C32H22N10O2 — CID 71552210

IUPAC4-[5-methyl-3-(7-oxo-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-4-yl)-1-phenylpyrazol-4-yl]-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one
SMILESCc1c(-c2n[nH]c(=O)c3nn(-c4ccccc4)cc23)c(-c2n[nH]c(=O)c3nn(-c4ccccc4)cc23)nn1-c1ccccc1
InChIInChI=1S/C32H22N10O2/c1-19-25(26-23-17-40(20-11-5-2-6-12-20)37-28(23)31(43)35-33-26)30(39-42(19)22-15-9-4-10-16-22)27-24-18-41(21-13-7-3-8-14-21)38-29(24)32(44)36-34-27/h2-18H,1H3,(H,35,43)(H,36,44)
InChIKeyCCCJYEKBIXQNDZ-UHFFFAOYSA-N
MW578.60 g/mol
LogP4.36
Rot. Bonds5

About 4-[5-methyl-3-(7-oxo-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-4-yl)-1-phenylpyrazol-4-yl]-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one

4-[5-methyl-3-(7-oxo-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-4-yl)-1-phenylpyrazol-4-yl]-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one (PubChem CID 71552210) has the molecular formula C32H22N10O2 and a molecular weight of 578.60 g/mol. Its IUPAC name is 4-[5-methyl-3-(7-oxo-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-4-yl)-1-phenylpyrazol-4-yl]-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name4-[5-methyl-3-(7-oxo-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-4-yl)-1-phenylpyrazol-4-yl]-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one
PubChem CID71552210
Molecular FormulaC32H22N10O2
Molecular Weight578.60 g/mol
Exact Mass578.19
IUPAC Name4-[5-methyl-3-(7-oxo-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-4-yl)-1-phenylpyrazol-4-yl]-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one
SMILESCc1c(-c2n[nH]c(=O)c3nn(-c4ccccc4)cc23)c(-c2n[nH]c(=O)c3nn(-c4ccccc4)cc23)nn1-c1ccccc1
InChIInChI=1S/C32H22N10O2/c1-19-25(26-23-17-40(20-11-5-2-6-12-20)37-28(23)31(43)35-33-26)30(39-42(19)22-15-9-4-10-16-22)27-24-18-41(21-13-7-3-8-14-21)38-29(24)32(44)36-34-27/h2-18H,1H3,(H,35,43)(H,36,44)
InChIKeyCCCJYEKBIXQNDZ-UHFFFAOYSA-N
XLogP4.36
TPSA144.96 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.60
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-[5-methyl-3-(7-oxo-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-4-yl)-1-phenylpyrazol-4-yl]-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one with MolForge

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Launch Full Analysis

Related Compounds

N'-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 5343000
3-[3-(4-Cyano-1,5-diphenylpyrazole-3-carbonyl)-1-(4-methylphenyl)pyrazole-4-carbonyl]-1,5-diphenylpyrazole-4-carbonitrile
CID 50905594
1-[4-[4-Benzoyl-1-(4-methylphenyl)pyrazole-3-carbonyl]-1-phenylpyrazol-3-yl]ethanone
CID 45277743
1-[4-[4-(4-Benzoyl-1-phenylpyrazole-3-carbonyl)-1-phenylpyrazole-3-carbonyl]-1-phenylpyrazol-3-yl]ethanone
CID 45277905
1-[4-[4-[4-Benzoyl-1-(4-methylphenyl)pyrazole-3-carbonyl]-1-phenylpyrazole-3-carbonyl]-1-phenylpyrazol-3-yl]ethanone
CID 45277906
(E)-1-[4-(4-benzoyl-1-phenylpyrazole-3-carbonyl)-1-phenylpyrazol-3-yl]-3-(dimethylamino)prop-2-en-1-one
CID 45277746
(E)-1-[4-[4-benzoyl-1-(4-methylphenyl)pyrazole-3-carbonyl]-1-phenylpyrazol-3-yl]-3-(dimethylamino)prop-2-en-1-one
CID 45277747
3-(7-oxo-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-4-yl)-1,5-diphenylpyrazole-4-carbonitrile
CID 50905153
3-[2-(4-chlorophenyl)-7-oxo-6H-pyrazolo[3,4-d]pyridazin-4-yl]-1,5-diphenylpyrazole-4-carbonitrile
CID 50905154
N'-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-3-(4-methylphenyl)-1H-pyrazole-5-carbohydrazide
CID 5343154
4-(4,5-diphenyl-1H-pyrrol-3-yl)-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one
CID 137189946
4-(4,5-diphenyl-1H-pyrrol-3-yl)-2-(4-methylphenyl)-6H-pyrazolo[3,4-d]pyridazin-7-one
CID 137189951

Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-3-(7-oxo-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-4-yl)-1-phenylpyrazol-4-yl]-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 4-[5-methyl-3-(7-oxo-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-4-yl)-1-phenylpyrazol-4-yl]-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one (CID 71552210) is 4-[5-methyl-3-(7-oxo-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-4-yl)-1-phenylpyrazol-4-yl]-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 4-[5-methyl-3-(7-oxo-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-4-yl)-1-phenylpyrazol-4-yl]-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 4-[5-methyl-3-(7-oxo-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-4-yl)-1-phenylpyrazol-4-yl]-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one is Cc1c(-c2n[nH]c(=O)c3nn(-c4ccccc4)cc23)c(-c2n[nH]c(=O)c3nn(-c4ccccc4)cc23)nn1-c1ccccc1.
What is the InChIKey of 4-[5-methyl-3-(7-oxo-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-4-yl)-1-phenylpyrazol-4-yl]-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one?
The InChIKey is CCCJYEKBIXQNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N10O2/c1-19-25(26-23-17-40(20-11-5-2-6-12-20)37-28(23)31(43)35-33-26)30(39-42(19)22-15-9-4-10-16-22)27-24-18-41(21-13-7-3-8-14-21)38-29(24)32(44)36-34-27/h2-18H,1H3,(H,35,43)(H,36,44).
What are the key properties of 4-[5-methyl-3-(7-oxo-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-4-yl)-1-phenylpyrazol-4-yl]-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one?
4-[5-methyl-3-(7-oxo-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-4-yl)-1-phenylpyrazol-4-yl]-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one has a molecular weight of 578.60 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-3-(7-oxo-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-4-yl)-1-phenylpyrazol-4-yl]-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 71552210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).