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

C42H32N8S2 — CID 157124813

IUPAC5-(6-phenyl-3-pyridin-2-yl-1,7-dihydroindazol-6-yl)-1,3-thiazole;5-(6-phenyl-3-pyridin-3-yl-1,7-dihydroindazol-6-yl)-1,3-thiazole
SMILESC1=CC(c2ccccc2)(c2cncs2)Cc2[nH]nc(-c3ccccn3)c21.C1=CC(c2ccccc2)(c2cncs2)Cc2[nH]nc(-c3cccnc3)c21
InChIInChI=1S/2C21H16N4S/c1-2-6-16(7-3-1)21(19-13-23-14-26-19)9-8-17-18(11-21)24-25-20(17)15-5-4-10-22-12-15;1-2-6-15(7-3-1)21(19-13-22-14-26-19)10-9-16-18(12-21)24-25-20(16)17-8-4-5-11-23-17/h1-10,12-14H,11H2,(H,24,25);1-11,13-14H,12H2,(H,24,25)
InChIKeyAIJPMXMUBBXUBJ-UHFFFAOYSA-N
MW712.91 g/mol
LogP8.97
Rot. Bonds6

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

5-(6-phenyl-3-pyridin-2-yl-1,7-dihydroindazol-6-yl)-1,3-thiazole;5-(6-phenyl-3-pyridin-3-yl-1,7-dihydroindazol-6-yl)-1,3-thiazole (PubChem CID 157124813) has the molecular formula C42H32N8S2 and a molecular weight of 712.91 g/mol. Its IUPAC name is 5-(6-phenyl-3-pyridin-2-yl-1,7-dihydroindazol-6-yl)-1,3-thiazole;5-(6-phenyl-3-pyridin-3-yl-1,7-dihydroindazol-6-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(6-phenyl-3-pyridin-2-yl-1,7-dihydroindazol-6-yl)-1,3-thiazole;5-(6-phenyl-3-pyridin-3-yl-1,7-dihydroindazol-6-yl)-1,3-thiazole
PubChem CID157124813
Molecular FormulaC42H32N8S2
Molecular Weight712.91 g/mol
Exact Mass712.22
IUPAC Name5-(6-phenyl-3-pyridin-2-yl-1,7-dihydroindazol-6-yl)-1,3-thiazole;5-(6-phenyl-3-pyridin-3-yl-1,7-dihydroindazol-6-yl)-1,3-thiazole
SMILESC1=CC(c2ccccc2)(c2cncs2)Cc2[nH]nc(-c3ccccn3)c21.C1=CC(c2ccccc2)(c2cncs2)Cc2[nH]nc(-c3cccnc3)c21
InChIInChI=1S/2C21H16N4S/c1-2-6-16(7-3-1)21(19-13-23-14-26-19)9-8-17-18(11-21)24-25-20(17)15-5-4-10-22-12-15;1-2-6-15(7-3-1)21(19-13-22-14-26-19)10-9-16-18(12-21)24-25-20(16)17-8-4-5-11-23-17/h1-10,12-14H,11H2,(H,24,25);1-11,13-14H,12H2,(H,24,25)
InChIKeyAIJPMXMUBBXUBJ-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 5-(6-phenyl-3-pyridin-2-yl-1,7-dihydroindazol-6-yl)-1,3-thiazole;5-(6-phenyl-3-pyridin-3-yl-1,7-dihydroindazol-6-yl)-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(6-phenyl-3-pyridin-2-yl-1,7-dihydroindazol-6-yl)-1,3-thiazole;5-(6-phenyl-3-pyridin-3-yl-1,7-dihydroindazol-6-yl)-1,3-thiazole?
The IUPAC name of 5-(6-phenyl-3-pyridin-2-yl-1,7-dihydroindazol-6-yl)-1,3-thiazole;5-(6-phenyl-3-pyridin-3-yl-1,7-dihydroindazol-6-yl)-1,3-thiazole (CID 157124813) is 5-(6-phenyl-3-pyridin-2-yl-1,7-dihydroindazol-6-yl)-1,3-thiazole;5-(6-phenyl-3-pyridin-3-yl-1,7-dihydroindazol-6-yl)-1,3-thiazole.
What is the SMILES notation for 5-(6-phenyl-3-pyridin-2-yl-1,7-dihydroindazol-6-yl)-1,3-thiazole;5-(6-phenyl-3-pyridin-3-yl-1,7-dihydroindazol-6-yl)-1,3-thiazole?
The canonical SMILES for 5-(6-phenyl-3-pyridin-2-yl-1,7-dihydroindazol-6-yl)-1,3-thiazole;5-(6-phenyl-3-pyridin-3-yl-1,7-dihydroindazol-6-yl)-1,3-thiazole is C1=CC(c2ccccc2)(c2cncs2)Cc2[nH]nc(-c3ccccn3)c21.C1=CC(c2ccccc2)(c2cncs2)Cc2[nH]nc(-c3cccnc3)c21.
What is the InChIKey of 5-(6-phenyl-3-pyridin-2-yl-1,7-dihydroindazol-6-yl)-1,3-thiazole;5-(6-phenyl-3-pyridin-3-yl-1,7-dihydroindazol-6-yl)-1,3-thiazole?
The InChIKey is AIJPMXMUBBXUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H16N4S/c1-2-6-16(7-3-1)21(19-13-23-14-26-19)9-8-17-18(11-21)24-25-20(17)15-5-4-10-22-12-15;1-2-6-15(7-3-1)21(19-13-22-14-26-19)10-9-16-18(12-21)24-25-20(16)17-8-4-5-11-23-17/h1-10,12-14H,11H2,(H,24,25);1-11,13-14H,12H2,(H,24,25).
What are the key properties of 5-(6-phenyl-3-pyridin-2-yl-1,7-dihydroindazol-6-yl)-1,3-thiazole;5-(6-phenyl-3-pyridin-3-yl-1,7-dihydroindazol-6-yl)-1,3-thiazole?
5-(6-phenyl-3-pyridin-2-yl-1,7-dihydroindazol-6-yl)-1,3-thiazole;5-(6-phenyl-3-pyridin-3-yl-1,7-dihydroindazol-6-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 5-(6-phenyl-3-pyridin-2-yl-1,7-dihydroindazol-6-yl)-1,3-thiazole;5-(6-phenyl-3-pyridin-3-yl-1,7-dihydroindazol-6-yl)-1,3-thiazole is sourced from PubChem (CID 157124813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).