2-[6-[3-[4-(3,4-dimethoxyphenyl)phenyl]-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole

C46H35N5O2S — CID 91514651

IUPAC2-[6-[3-[4-(3,4-dimethoxyphenyl)phenyl]-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
SMILESCOc1ccc(-c2ccc(-c3nn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3-c3ccc4ncc(-c5nccs5)n4c3)cc2)cc1OC
InChIInChI=1S/C46H35N5O2S/c1-52-41-24-22-34(28-42(41)53-2)32-18-20-33(21-19-32)44-39(35-23-25-43-48-29-40(50(43)30-35)45-47-26-27-54-45)31-51(49-44)46(36-12-6-3-7-13-36,37-14-8-4-9-15-37)38-16-10-5-11-17-38/h3-31H,1-2H3
InChIKeyUYEMVQNJVFJZHP-UHFFFAOYSA-N
MW721.89 g/mol
LogP10.51
Rot. Bonds10

About 2-[6-[3-[4-(3,4-dimethoxyphenyl)phenyl]-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole

2-[6-[3-[4-(3,4-dimethoxyphenyl)phenyl]-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole (PubChem CID 91514651) has the molecular formula C46H35N5O2S and a molecular weight of 721.89 g/mol. Its IUPAC name is 2-[6-[3-[4-(3,4-dimethoxyphenyl)phenyl]-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[6-[3-[4-(3,4-dimethoxyphenyl)phenyl]-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
PubChem CID91514651
Molecular FormulaC46H35N5O2S
Molecular Weight721.89 g/mol
Exact Mass721.25
IUPAC Name2-[6-[3-[4-(3,4-dimethoxyphenyl)phenyl]-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
SMILESCOc1ccc(-c2ccc(-c3nn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3-c3ccc4ncc(-c5nccs5)n4c3)cc2)cc1OC
InChIInChI=1S/C46H35N5O2S/c1-52-41-24-22-34(28-42(41)53-2)32-18-20-33(21-19-32)44-39(35-23-25-43-48-29-40(50(43)30-35)45-47-26-27-54-45)31-51(49-44)46(36-12-6-3-7-13-36,37-14-8-4-9-15-37)38-16-10-5-11-17-38/h3-31H,1-2H3
InChIKeyUYEMVQNJVFJZHP-UHFFFAOYSA-N
XLogP10.51
TPSA66.47 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.89
LogP ≤ 510.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

3-[[3-Methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine
CID 118009816
3-[[3-Methoxy-4-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine
CID 118009830
2-[1-[1-(4-Methoxy-2-methylphenyl)-6-methylpyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole
CID 25150449
3-[5-[2-Methoxy-4-(trifluoromethyl)phenyl]thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 164613273
3-[4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-yl]-8-(4-fluorophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
CID 66502950
2-[2-(3,4-Dimethoxybenzyl)-7H-pyrazolo[4,3-E][1,2,4]triazolo[1,5-C]pyrimidin-7-YL]-1,3-benzothiazole
CID 23605310
2-[3-(4-Methoxyphenyl)-1-phenylpyrazolo[3,4-b]pyridin-4-yl]-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole
CID 46184037
2-[7-(3,4-Dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]sulfanyl-1,3-benzothiazole
CID 20805782
7-(3,4-Dimethoxyphenyl)-5-(thiophen-2-ylmethylsulfanyl)imidazo[1,2-c]pyrimidine
CID 20805907
2-[6-[5-[2-(3,4-dimethoxyphenyl)phenyl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole;trihydrochloride
CID 22032028
2-[6-[5-[2-(3,4-dimethoxyphenyl)phenyl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
CID 22032029
2-[6-[3-[2-(3,4-Dimethoxyphenyl)phenyl]-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
CID 22032578

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-[4-(3,4-dimethoxyphenyl)phenyl]-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?
The IUPAC name of 2-[6-[3-[4-(3,4-dimethoxyphenyl)phenyl]-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole (CID 91514651) is 2-[6-[3-[4-(3,4-dimethoxyphenyl)phenyl]-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[6-[3-[4-(3,4-dimethoxyphenyl)phenyl]-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[6-[3-[4-(3,4-dimethoxyphenyl)phenyl]-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole is COc1ccc(-c2ccc(-c3nn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3-c3ccc4ncc(-c5nccs5)n4c3)cc2)cc1OC.
What is the InChIKey of 2-[6-[3-[4-(3,4-dimethoxyphenyl)phenyl]-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?
The InChIKey is UYEMVQNJVFJZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35N5O2S/c1-52-41-24-22-34(28-42(41)53-2)32-18-20-33(21-19-32)44-39(35-23-25-43-48-29-40(50(43)30-35)45-47-26-27-54-45)31-51(49-44)46(36-12-6-3-7-13-36,37-14-8-4-9-15-37)38-16-10-5-11-17-38/h3-31H,1-2H3.
What are the key properties of 2-[6-[3-[4-(3,4-dimethoxyphenyl)phenyl]-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?
2-[6-[3-[4-(3,4-dimethoxyphenyl)phenyl]-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole has a molecular weight of 721.89 g/mol, XLogP of 10.51, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-[4-(3,4-dimethoxyphenyl)phenyl]-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole is sourced from PubChem (CID 91514651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).