4-(6-phenyl-6-pyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6-phenyl-6-pyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole

C42H32N8S2 — CID 157371929

IUPAC4-(6-phenyl-6-pyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6-phenyl-6-pyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole
SMILESC1=CC(c2ccccc2)(c2ccccn2)Cc2[nH]nc(-c3cncs3)c21.C1=CC(c2ccccc2)(c2ccccn2)Cc2[nH]nc(-c3cscn3)c21
InChIInChI=1S/2C21H16N4S/c1-2-6-15(7-3-1)21(19-8-4-5-11-23-19)10-9-16-17(12-21)24-25-20(16)18-13-22-14-26-18;1-2-6-15(7-3-1)21(19-8-4-5-11-22-19)10-9-16-17(12-21)24-25-20(16)18-13-26-14-23-18/h2*1-11,13-14H,12H2,(H,24,25)
InChIKeyBJWGRHCFKVTWHU-UHFFFAOYSA-N
MW712.91 g/mol
LogP8.97
Rot. Bonds6

About 4-(6-phenyl-6-pyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6-phenyl-6-pyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole

4-(6-phenyl-6-pyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6-phenyl-6-pyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole (PubChem CID 157371929) has the molecular formula C42H32N8S2 and a molecular weight of 712.91 g/mol. Its IUPAC name is 4-(6-phenyl-6-pyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6-phenyl-6-pyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(6-phenyl-6-pyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6-phenyl-6-pyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole
PubChem CID157371929
Molecular FormulaC42H32N8S2
Molecular Weight712.91 g/mol
Exact Mass712.22
IUPAC Name4-(6-phenyl-6-pyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6-phenyl-6-pyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole
SMILESC1=CC(c2ccccc2)(c2ccccn2)Cc2[nH]nc(-c3cncs3)c21.C1=CC(c2ccccc2)(c2ccccn2)Cc2[nH]nc(-c3cscn3)c21
InChIInChI=1S/2C21H16N4S/c1-2-6-15(7-3-1)21(19-8-4-5-11-23-19)10-9-16-17(12-21)24-25-20(16)18-13-22-14-26-18;1-2-6-15(7-3-1)21(19-8-4-5-11-22-19)10-9-16-17(12-21)24-25-20(16)18-13-26-14-23-18/h2*1-11,13-14H,12H2,(H,24,25)
InChIKeyBJWGRHCFKVTWHU-UHFFFAOYSA-N
XLogP8.97
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.91
LogP ≤ 58.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-(6-phenyl-6-pyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6-phenyl-6-pyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(6-phenyl-6-pyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6-phenyl-6-pyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole?
The IUPAC name of 4-(6-phenyl-6-pyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6-phenyl-6-pyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole (CID 157371929) is 4-(6-phenyl-6-pyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6-phenyl-6-pyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole.
What is the SMILES notation for 4-(6-phenyl-6-pyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6-phenyl-6-pyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole?
The canonical SMILES for 4-(6-phenyl-6-pyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6-phenyl-6-pyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole is C1=CC(c2ccccc2)(c2ccccn2)Cc2[nH]nc(-c3cncs3)c21.C1=CC(c2ccccc2)(c2ccccn2)Cc2[nH]nc(-c3cscn3)c21.
What is the InChIKey of 4-(6-phenyl-6-pyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6-phenyl-6-pyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole?
The InChIKey is BJWGRHCFKVTWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H16N4S/c1-2-6-15(7-3-1)21(19-8-4-5-11-23-19)10-9-16-17(12-21)24-25-20(16)18-13-22-14-26-18;1-2-6-15(7-3-1)21(19-8-4-5-11-22-19)10-9-16-17(12-21)24-25-20(16)18-13-26-14-23-18/h2*1-11,13-14H,12H2,(H,24,25).
What are the key properties of 4-(6-phenyl-6-pyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6-phenyl-6-pyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole?
4-(6-phenyl-6-pyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6-phenyl-6-pyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole has a molecular weight of 712.91 g/mol, XLogP of 8.97, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-phenyl-6-pyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6-phenyl-6-pyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole is sourced from PubChem (CID 157371929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).