2-(2,7-diphenylpyrazolo[3,4-d]pyridazin-4-yl)-3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazole

C35H24N6S — CID 102291064

IUPAC2-(2,7-diphenylpyrazolo[3,4-d]pyridazin-4-yl)-3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazole
SMILESCc1c(-c2nnc(-c3ccccc3)c3nn(-c4ccccc4)cc23)sc2nc(-c3ccccc3)c(-c3ccccc3)n12
InChIInChI=1S/C35H24N6S/c1-23-34(42-35-36-30(25-16-8-3-9-17-25)33(41(23)35)26-18-10-4-11-19-26)32-28-22-40(27-20-12-5-13-21-27)39-31(28)29(37-38-32)24-14-6-2-7-15-24/h2-22H,1H3
InChIKeyXYROUXCNOSWURI-UHFFFAOYSA-N
MW560.69 g/mol
LogP8.50
Rot. Bonds5

About 2-(2,7-diphenylpyrazolo[3,4-d]pyridazin-4-yl)-3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazole

2-(2,7-diphenylpyrazolo[3,4-d]pyridazin-4-yl)-3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazole (PubChem CID 102291064) has the molecular formula C35H24N6S and a molecular weight of 560.69 g/mol. Its IUPAC name is 2-(2,7-diphenylpyrazolo[3,4-d]pyridazin-4-yl)-3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name2-(2,7-diphenylpyrazolo[3,4-d]pyridazin-4-yl)-3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazole
PubChem CID102291064
Molecular FormulaC35H24N6S
Molecular Weight560.69 g/mol
Exact Mass560.18
IUPAC Name2-(2,7-diphenylpyrazolo[3,4-d]pyridazin-4-yl)-3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazole
SMILESCc1c(-c2nnc(-c3ccccc3)c3nn(-c4ccccc4)cc23)sc2nc(-c3ccccc3)c(-c3ccccc3)n12
InChIInChI=1S/C35H24N6S/c1-23-34(42-35-36-30(25-16-8-3-9-17-25)33(41(23)35)26-18-10-4-11-19-26)32-28-22-40(27-20-12-5-13-21-27)39-31(28)29(37-38-32)24-14-6-2-7-15-24/h2-22H,1H3
InChIKeyXYROUXCNOSWURI-UHFFFAOYSA-N
XLogP8.50
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.69
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethyl-3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazole
CID 10805524
3-[7-(4-cyano-1,5-diphenylpyrazol-3-yl)-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-4-yl]-1,5-diphenylpyrazole-4-carbonitrile
CID 50905811
(NE)-N-[1-(3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazol-2-yl)ethylidene]hydroxylamine
CID 13238085
4,7-dimethyl-2-phenylindazole
CID 175730275
2,4,7-triphenylpyrazolo[4,3-c]pyridine-6-carbonitrile
CID 13016006
1-[4-[7-(3-acetyl-1-phenylpyrazol-4-yl)-3-methyl-2-[4-(7-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl)phenyl]pyrazolo[3,4-d]pyridazin-4-yl]-1-phenylpyrazol-3-yl]ethanone
CID 139236291
10,11-diphenyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene
CID 10829218
3,5,6-triphenylimidazo[2,1-b][1,3]thiazole
CID 10760466
1,4,5-triphenyl-2-(1,4,5-triphenylimidazol-2-yl)imidazole
CID 19020129
1,3,4-triphenylpyrazole
CID 555882
4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-7-phenyl-[1,2]oxazolo[3,4-d]pyridazine
CID 11566894
2-(1,3-diphenylpyrazol-4-yl)-1,3-benzothiazole
CID 46870644

Frequently Asked Questions

What is the IUPAC name of 2-(2,7-diphenylpyrazolo[3,4-d]pyridazin-4-yl)-3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 2-(2,7-diphenylpyrazolo[3,4-d]pyridazin-4-yl)-3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazole (CID 102291064) is 2-(2,7-diphenylpyrazolo[3,4-d]pyridazin-4-yl)-3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 2-(2,7-diphenylpyrazolo[3,4-d]pyridazin-4-yl)-3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 2-(2,7-diphenylpyrazolo[3,4-d]pyridazin-4-yl)-3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazole is Cc1c(-c2nnc(-c3ccccc3)c3nn(-c4ccccc4)cc23)sc2nc(-c3ccccc3)c(-c3ccccc3)n12.
What is the InChIKey of 2-(2,7-diphenylpyrazolo[3,4-d]pyridazin-4-yl)-3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazole?
The InChIKey is XYROUXCNOSWURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24N6S/c1-23-34(42-35-36-30(25-16-8-3-9-17-25)33(41(23)35)26-18-10-4-11-19-26)32-28-22-40(27-20-12-5-13-21-27)39-31(28)29(37-38-32)24-14-6-2-7-15-24/h2-22H,1H3.
What are the key properties of 2-(2,7-diphenylpyrazolo[3,4-d]pyridazin-4-yl)-3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazole?
2-(2,7-diphenylpyrazolo[3,4-d]pyridazin-4-yl)-3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazole has a molecular weight of 560.69 g/mol, XLogP of 8.50, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-diphenylpyrazolo[3,4-d]pyridazin-4-yl)-3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 102291064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).