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

C40H30N10S2 — CID 159020658

IUPAC4-(6,6-dipyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6,6-dipyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole
SMILESC1=CC(c2ccccn2)(c2ccccn2)Cc2[nH]nc(-c3cncs3)c21.C1=CC(c2ccccn2)(c2ccccn2)Cc2[nH]nc(-c3cscn3)c21
InChIInChI=1S/2C20H15N5S/c1-3-9-22-17(5-1)20(18-6-2-4-10-23-18)8-7-14-15(11-20)24-25-19(14)16-12-21-13-26-16;1-3-9-21-17(5-1)20(18-6-2-4-10-22-18)8-7-14-15(11-20)24-25-19(14)16-12-26-13-23-16/h2*1-10,12-13H,11H2,(H,24,25)
InChIKeyJTQNVIRSHSFXCH-UHFFFAOYSA-N
MW714.88 g/mol
LogP7.76
Rot. Bonds6

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

4-(6,6-dipyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6,6-dipyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole (PubChem CID 159020658) has the molecular formula C40H30N10S2 and a molecular weight of 714.88 g/mol. Its IUPAC name is 4-(6,6-dipyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6,6-dipyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(6,6-dipyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6,6-dipyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole
PubChem CID159020658
Molecular FormulaC40H30N10S2
Molecular Weight714.88 g/mol
Exact Mass714.21
IUPAC Name4-(6,6-dipyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6,6-dipyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole
SMILESC1=CC(c2ccccn2)(c2ccccn2)Cc2[nH]nc(-c3cncs3)c21.C1=CC(c2ccccn2)(c2ccccn2)Cc2[nH]nc(-c3cscn3)c21
InChIInChI=1S/2C20H15N5S/c1-3-9-22-17(5-1)20(18-6-2-4-10-23-18)8-7-14-15(11-20)24-25-19(14)16-12-21-13-26-16;1-3-9-21-17(5-1)20(18-6-2-4-10-22-18)8-7-14-15(11-20)24-25-19(14)16-12-26-13-23-16/h2*1-10,12-13H,11H2,(H,24,25)
InChIKeyJTQNVIRSHSFXCH-UHFFFAOYSA-N
XLogP7.76
TPSA134.70 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.88
LogP ≤ 57.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137033963
4-[1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazole
CID 177664163
4-[1-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazole
CID 177665669
2-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]-5-(1H-pyrazol-5-yl)-1,3-thiazole
CID 158781875
5-(6,6-Dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole
CID 21928689
2-(6-Phenyl-6-thiophen-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole
CID 21928776
4-(6,6-Dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole
CID 21928824
2-(6,6-Dipyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole
CID 21928939
4-(6,6-Dithiophen-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole
CID 21928987
4-[6-Phenyl-3-(1,3-thiazol-5-yl)-1,7-dihydroindazol-6-yl]-1,3-thiazole
CID 21929188
6,6-Dipyridin-2-yl-3-thiophen-3-yl-1,7-dihydroindazole
CID 21929194
6,6-Dipyridin-3-yl-3-thiophen-3-yl-1,7-dihydroindazole
CID 21929198

Frequently Asked Questions

What is the IUPAC name of 4-(6,6-dipyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6,6-dipyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole?
The IUPAC name of 4-(6,6-dipyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6,6-dipyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole (CID 159020658) is 4-(6,6-dipyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6,6-dipyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole.
What is the SMILES notation for 4-(6,6-dipyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6,6-dipyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole?
The canonical SMILES for 4-(6,6-dipyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6,6-dipyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole is C1=CC(c2ccccn2)(c2ccccn2)Cc2[nH]nc(-c3cncs3)c21.C1=CC(c2ccccn2)(c2ccccn2)Cc2[nH]nc(-c3cscn3)c21.
What is the InChIKey of 4-(6,6-dipyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6,6-dipyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole?
The InChIKey is JTQNVIRSHSFXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H15N5S/c1-3-9-22-17(5-1)20(18-6-2-4-10-23-18)8-7-14-15(11-20)24-25-19(14)16-12-21-13-26-16;1-3-9-21-17(5-1)20(18-6-2-4-10-22-18)8-7-14-15(11-20)24-25-19(14)16-12-26-13-23-16/h2*1-10,12-13H,11H2,(H,24,25).
What are the key properties of 4-(6,6-dipyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6,6-dipyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole?
4-(6,6-dipyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6,6-dipyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole has a molecular weight of 714.88 g/mol, XLogP of 7.76, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,6-dipyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6,6-dipyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole is sourced from PubChem (CID 159020658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).