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

C46H34N14 — CID 139236289

IUPAC7-methyl-4-[4-[5-methyl-3,4-bis(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)pyrazol-1-yl]phenyl]-2-phenylpyrazolo[3,4-d]pyridazine
SMILESCc1nnc(-c2ccc(-n3nc(-c4nnc(C)c5nn(-c6ccccc6)cc45)c(-c4nnc(C)c5nn(-c6ccccc6)cc45)c3C)cc2)c2cn(-c3ccccc3)nc12
InChIInChI=1S/C46H34N14/c1-27-40-36(24-57(53-40)32-14-8-5-9-15-32)43(50-47-27)31-20-22-35(23-21-31)60-30(4)39(44-37-25-58(33-16-10-6-11-17-33)54-41(37)28(2)48-51-44)46(56-60)45-38-26-59(34-18-12-7-13-19-34)55-42(38)29(3)49-52-45/h5-26H,1-4H3
InChIKeyMFNXLSJOTRDURW-UHFFFAOYSA-N
MW782.88 g/mol
LogP8.49
Rot. Bonds7

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

7-methyl-4-[4-[5-methyl-3,4-bis(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)pyrazol-1-yl]phenyl]-2-phenylpyrazolo[3,4-d]pyridazine (PubChem CID 139236289) has the molecular formula C46H34N14 and a molecular weight of 782.88 g/mol. Its IUPAC name is 7-methyl-4-[4-[5-methyl-3,4-bis(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)pyrazol-1-yl]phenyl]-2-phenylpyrazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name7-methyl-4-[4-[5-methyl-3,4-bis(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)pyrazol-1-yl]phenyl]-2-phenylpyrazolo[3,4-d]pyridazine
PubChem CID139236289
Molecular FormulaC46H34N14
Molecular Weight782.88 g/mol
Exact Mass782.31
IUPAC Name7-methyl-4-[4-[5-methyl-3,4-bis(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)pyrazol-1-yl]phenyl]-2-phenylpyrazolo[3,4-d]pyridazine
SMILESCc1nnc(-c2ccc(-n3nc(-c4nnc(C)c5nn(-c6ccccc6)cc45)c(-c4nnc(C)c5nn(-c6ccccc6)cc45)c3C)cc2)c2cn(-c3ccccc3)nc12
InChIInChI=1S/C46H34N14/c1-27-40-36(24-57(53-40)32-14-8-5-9-15-32)43(50-47-27)31-20-22-35(23-21-31)60-30(4)39(44-37-25-58(33-16-10-6-11-17-33)54-41(37)28(2)48-51-44)46(56-60)45-38-26-59(34-18-12-7-13-19-34)55-42(38)29(3)49-52-45/h5-26H,1-4H3
InChIKeyMFNXLSJOTRDURW-UHFFFAOYSA-N
XLogP8.49
TPSA148.62 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500782.88
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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Related Compounds

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3-(2,7-Diphenylpyrazolo[3,4-d]pyridazin-4-yl)-1,5-diphenylpyrazole-4-carbonitrile
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3-[2-(4-Methylphenyl)-7-phenylpyrazolo[3,4-d]pyridazin-4-yl]-1,5-diphenylpyrazole-4-carbonitrile
CID 50906028
3-(7-Methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)-1,5-diphenylpyrazole-4-carbonitrile
CID 50908387
3-[1-[4-(2,6-Dipyridin-2-yl-4-pyridinyl)phenyl]triazol-4-yl]-9-octylcarbazole
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7-methyl-4-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine
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US11242343, Example 28
CID 134327579
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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-[4-[5-methyl-3,4-bis(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)pyrazol-1-yl]phenyl]-2-phenylpyrazolo[3,4-d]pyridazine?
The IUPAC name of 7-methyl-4-[4-[5-methyl-3,4-bis(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)pyrazol-1-yl]phenyl]-2-phenylpyrazolo[3,4-d]pyridazine (CID 139236289) is 7-methyl-4-[4-[5-methyl-3,4-bis(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)pyrazol-1-yl]phenyl]-2-phenylpyrazolo[3,4-d]pyridazine.
What is the SMILES notation for 7-methyl-4-[4-[5-methyl-3,4-bis(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)pyrazol-1-yl]phenyl]-2-phenylpyrazolo[3,4-d]pyridazine?
The canonical SMILES for 7-methyl-4-[4-[5-methyl-3,4-bis(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)pyrazol-1-yl]phenyl]-2-phenylpyrazolo[3,4-d]pyridazine is Cc1nnc(-c2ccc(-n3nc(-c4nnc(C)c5nn(-c6ccccc6)cc45)c(-c4nnc(C)c5nn(-c6ccccc6)cc45)c3C)cc2)c2cn(-c3ccccc3)nc12.
What is the InChIKey of 7-methyl-4-[4-[5-methyl-3,4-bis(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)pyrazol-1-yl]phenyl]-2-phenylpyrazolo[3,4-d]pyridazine?
The InChIKey is MFNXLSJOTRDURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N14/c1-27-40-36(24-57(53-40)32-14-8-5-9-15-32)43(50-47-27)31-20-22-35(23-21-31)60-30(4)39(44-37-25-58(33-16-10-6-11-17-33)54-41(37)28(2)48-51-44)46(56-60)45-38-26-59(34-18-12-7-13-19-34)55-42(38)29(3)49-52-45/h5-26H,1-4H3.
What are the key properties of 7-methyl-4-[4-[5-methyl-3,4-bis(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)pyrazol-1-yl]phenyl]-2-phenylpyrazolo[3,4-d]pyridazine?
7-methyl-4-[4-[5-methyl-3,4-bis(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)pyrazol-1-yl]phenyl]-2-phenylpyrazolo[3,4-d]pyridazine has a molecular weight of 782.88 g/mol, XLogP of 8.49, 7 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-[4-[5-methyl-3,4-bis(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)pyrazol-1-yl]phenyl]-2-phenylpyrazolo[3,4-d]pyridazine is sourced from PubChem (CID 139236289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).