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

C36H25N5S2 — CID 151147238

IUPAC2-[6-(3-thiophen-2-yl-1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)n2cc(-c3ccc4ncc(-c5nccs5)n4c3)c(-c3cccs3)n2)cc1
InChIInChI=1S/C36H25N5S2/c1-4-11-27(12-5-1)36(28-13-6-2-7-14-28,29-15-8-3-9-16-29)41-25-30(34(39-41)32-17-10-21-42-32)26-18-19-33-38-23-31(40(33)24-26)35-37-20-22-43-35/h1-25H
InChIKeyMXLOGTGBKAECMC-UHFFFAOYSA-N
MW591.77 g/mol
LogP8.89
Rot. Bonds7

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

2-[6-(3-thiophen-2-yl-1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole (PubChem CID 151147238) has the molecular formula C36H25N5S2 and a molecular weight of 591.77 g/mol. Its IUPAC name is 2-[6-(3-thiophen-2-yl-1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[6-(3-thiophen-2-yl-1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
PubChem CID151147238
Molecular FormulaC36H25N5S2
Molecular Weight591.77 g/mol
Exact Mass591.16
IUPAC Name2-[6-(3-thiophen-2-yl-1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)n2cc(-c3ccc4ncc(-c5nccs5)n4c3)c(-c3cccs3)n2)cc1
InChIInChI=1S/C36H25N5S2/c1-4-11-27(12-5-1)36(28-13-6-2-7-14-28,29-15-8-3-9-16-29)41-25-30(34(39-41)32-17-10-21-42-32)26-18-19-33-38-23-31(40(33)24-26)35-37-20-22-43-35/h1-25H
InChIKeyMXLOGTGBKAECMC-UHFFFAOYSA-N
XLogP8.89
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.77
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Imidazopyridine 10e
CID 5329344
Imidazopyridine 10f
CID 5329345
1-[1-({4-[3-phenyl-5-(1,3-thiazol-2-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24971394
2-[Phenyl-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]thiazole
CID 3011483
7-(2,4-dimethyl-1H-imidazol-1-yl)-2-(5-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 138571253
4-(1-Phenyl-3-thiophen-2-ylpyrazol-4-yl)-4,10-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 2998031
3-[[5-(1-Methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine
CID 53262678
6-((2-Methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylthio)methyl)imidazo[2,1-b]thiazole
CID 54582525
2-[[5-(1-Methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine
CID 54759346
N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 89657806
N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine
CID 89657814
4-[4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine
CID 89657816

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-thiophen-2-yl-1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?
The IUPAC name of 2-[6-(3-thiophen-2-yl-1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole (CID 151147238) is 2-[6-(3-thiophen-2-yl-1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[6-(3-thiophen-2-yl-1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[6-(3-thiophen-2-yl-1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole is c1ccc(C(c2ccccc2)(c2ccccc2)n2cc(-c3ccc4ncc(-c5nccs5)n4c3)c(-c3cccs3)n2)cc1.
What is the InChIKey of 2-[6-(3-thiophen-2-yl-1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?
The InChIKey is MXLOGTGBKAECMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N5S2/c1-4-11-27(12-5-1)36(28-13-6-2-7-14-28,29-15-8-3-9-16-29)41-25-30(34(39-41)32-17-10-21-42-32)26-18-19-33-38-23-31(40(33)24-26)35-37-20-22-43-35/h1-25H.
What are the key properties of 2-[6-(3-thiophen-2-yl-1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?
2-[6-(3-thiophen-2-yl-1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole has a molecular weight of 591.77 g/mol, XLogP of 8.89, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-thiophen-2-yl-1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole is sourced from PubChem (CID 151147238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).