7-methyl-4-[5-methyl-3-(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)-1-phenylpyrazol-4-yl]-2-phenylpyrazolo[3,4-d]pyridazine

C34H26N10 — CID 71552209

IUPAC7-methyl-4-[5-methyl-3-(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)-1-phenylpyrazol-4-yl]-2-phenylpyrazolo[3,4-d]pyridazine
SMILESCc1nnc(-c2nn(-c3ccccc3)c(C)c2-c2nnc(C)c3nn(-c4ccccc4)cc23)c2cn(-c3ccccc3)nc12
InChIInChI=1S/C34H26N10/c1-21-30-27(19-42(39-30)24-13-7-4-8-14-24)32(37-35-21)29-23(3)44(26-17-11-6-12-18-26)41-34(29)33-28-20-43(25-15-9-5-10-16-25)40-31(28)22(2)36-38-33/h4-20H,1-3H3
InChIKeyLXYDIVIMOAMXIB-UHFFFAOYSA-N
MW574.65 g/mol
LogP6.39
Rot. Bonds5

About 7-methyl-4-[5-methyl-3-(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)-1-phenylpyrazol-4-yl]-2-phenylpyrazolo[3,4-d]pyridazine

7-methyl-4-[5-methyl-3-(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)-1-phenylpyrazol-4-yl]-2-phenylpyrazolo[3,4-d]pyridazine (PubChem CID 71552209) has the molecular formula C34H26N10 and a molecular weight of 574.65 g/mol. Its IUPAC name is 7-methyl-4-[5-methyl-3-(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)-1-phenylpyrazol-4-yl]-2-phenylpyrazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name7-methyl-4-[5-methyl-3-(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)-1-phenylpyrazol-4-yl]-2-phenylpyrazolo[3,4-d]pyridazine
PubChem CID71552209
Molecular FormulaC34H26N10
Molecular Weight574.65 g/mol
Exact Mass574.23
IUPAC Name7-methyl-4-[5-methyl-3-(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)-1-phenylpyrazol-4-yl]-2-phenylpyrazolo[3,4-d]pyridazine
SMILESCc1nnc(-c2nn(-c3ccccc3)c(C)c2-c2nnc(C)c3nn(-c4ccccc4)cc23)c2cn(-c3ccccc3)nc12
InChIInChI=1S/C34H26N10/c1-21-30-27(19-42(39-30)24-13-7-4-8-14-24)32(37-35-21)29-23(3)44(26-17-11-6-12-18-26)41-34(29)33-28-20-43(25-15-9-5-10-16-25)40-31(28)22(2)36-38-33/h4-20H,1-3H3
InChIKeyLXYDIVIMOAMXIB-UHFFFAOYSA-N
XLogP6.39
TPSA105.02 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.65
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 7-methyl-4-[5-methyl-3-(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)-1-phenylpyrazol-4-yl]-2-phenylpyrazolo[3,4-d]pyridazine with MolForge

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Related Compounds

3-Phenyl-1-(pyrazin-2-ylmethyl)indazole
CID 73504998
6-(2-Methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine
CID 162654240
1-[4-(4-Methylpiperazin-1-yl)phenyl]-6-phenylpyrazolo[4,3-c]pyridine
CID 162669898
3,5-bis(1-benzyltriazol-4-yl)-1H-indazole
CID 25164271
6-(3,5-Dimethyltriazol-4-yl)-1-[(1,4,4-trifluorocyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridine
CID 90426828
1-[(4,4-Difluorocyclohexyl)methyl]-6-(3,5-dimethyltriazol-4-yl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridine
CID 118059767
US11530210, Example 184
CID 155388721
US11530210, Example 190
CID 155388780
US11530210, Example 191
CID 155388896
US11530210, Example 246
CID 155388964
US11530210, Example 247
CID 155388999
US11530210, Example 180
CID 155389010

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-[5-methyl-3-(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)-1-phenylpyrazol-4-yl]-2-phenylpyrazolo[3,4-d]pyridazine?
The IUPAC name of 7-methyl-4-[5-methyl-3-(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)-1-phenylpyrazol-4-yl]-2-phenylpyrazolo[3,4-d]pyridazine (CID 71552209) is 7-methyl-4-[5-methyl-3-(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)-1-phenylpyrazol-4-yl]-2-phenylpyrazolo[3,4-d]pyridazine.
What is the SMILES notation for 7-methyl-4-[5-methyl-3-(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)-1-phenylpyrazol-4-yl]-2-phenylpyrazolo[3,4-d]pyridazine?
The canonical SMILES for 7-methyl-4-[5-methyl-3-(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)-1-phenylpyrazol-4-yl]-2-phenylpyrazolo[3,4-d]pyridazine is Cc1nnc(-c2nn(-c3ccccc3)c(C)c2-c2nnc(C)c3nn(-c4ccccc4)cc23)c2cn(-c3ccccc3)nc12.
What is the InChIKey of 7-methyl-4-[5-methyl-3-(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)-1-phenylpyrazol-4-yl]-2-phenylpyrazolo[3,4-d]pyridazine?
The InChIKey is LXYDIVIMOAMXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N10/c1-21-30-27(19-42(39-30)24-13-7-4-8-14-24)32(37-35-21)29-23(3)44(26-17-11-6-12-18-26)41-34(29)33-28-20-43(25-15-9-5-10-16-25)40-31(28)22(2)36-38-33/h4-20H,1-3H3.
What are the key properties of 7-methyl-4-[5-methyl-3-(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)-1-phenylpyrazol-4-yl]-2-phenylpyrazolo[3,4-d]pyridazine?
7-methyl-4-[5-methyl-3-(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)-1-phenylpyrazol-4-yl]-2-phenylpyrazolo[3,4-d]pyridazine has a molecular weight of 574.65 g/mol, XLogP of 6.39, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-[5-methyl-3-(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)-1-phenylpyrazol-4-yl]-2-phenylpyrazolo[3,4-d]pyridazine is sourced from PubChem (CID 71552209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).