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

C60H45N15O3 — CID 158473806

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

2-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;5-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole (PubChem CID 158473806) has the molecular formula C60H45N15O3 and a molecular weight of 1024.12 g/mol. Its IUPAC name is 2-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;5-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole.

Molecular Properties

• Compound Name: 2-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;5-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole
• PubChem CID: 158473806
• Molecular Formula: C60H45N15O3
• Molecular Weight: 1024.12 g/mol
• Exact Mass: 1023.38
• IUPAC Name: 2-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;5-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole
• SMILES: C1=CC(c2cccnc2)(c2cccnc2)Cc2[nH]nc(-c3cnco3)c21.C1=CC(c2cccnc2)(c2cccnc2)Cc2[nH]nc(-c3cocn3)c21.C1=CC(c2cccnc2)(c2cccnc2)Cc2[nH]nc(-c3ncco3)c21
• InChI: InChI=1S/3C20H15N5O/c1-3-14(10-21-7-1)20(15-4-2-8-22-11-15)6-5-16-17(9-20)24-25-19(16)18-12-26-13-23-18;1-3-14(10-21-7-1)20(15-4-2-8-22-11-15)6-5-16-17(9-20)24-25-19(16)18-12-23-13-26-18;1-3-14(12-21-7-1)20(15-4-2-8-22-13-15)6-5-16-17(11-20)24-25-18(16)19-23-9-10-26-19/h2*1-8,10-13H,9H2,(H,24,25);1-10,12-13H,11H2,(H,24,25)
• InChIKey: HGRINEBXCRYNMN-UHFFFAOYSA-N
• XLogP: 10.23
• TPSA: 241.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1024.12
LogP ≤ 5	10.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;5-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole?

The IUPAC name of 2-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;5-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole (CID 158473806) is 2-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;5-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole.

What is the SMILES notation for 2-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;5-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole?

The canonical SMILES for 2-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;5-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole is C1=CC(c2cccnc2)(c2cccnc2)Cc2[nH]nc(-c3cnco3)c21.C1=CC(c2cccnc2)(c2cccnc2)Cc2[nH]nc(-c3cocn3)c21.C1=CC(c2cccnc2)(c2cccnc2)Cc2[nH]nc(-c3ncco3)c21.

What is the InChIKey of 2-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;5-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole?

The InChIKey is HGRINEBXCRYNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H15N5O/c1-3-14(10-21-7-1)20(15-4-2-8-22-11-15)6-5-16-17(9-20)24-25-19(16)18-12-26-13-23-18;1-3-14(10-21-7-1)20(15-4-2-8-22-11-15)6-5-16-17(9-20)24-25-19(16)18-12-23-13-26-18;1-3-14(12-21-7-1)20(15-4-2-8-22-13-15)6-5-16-17(11-20)24-25-18(16)19-23-9-10-26-19/h2*1-8,10-13H,9H2,(H,24,25);1-10,12-13H,11H2,(H,24,25).

What are the key properties of 2-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;5-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole?

2-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;5-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole has a molecular weight of 1024.12 g/mol, XLogP of 10.23, 9 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;5-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole is sourced from PubChem (CID 158473806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).