3-[6-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]-2-pyridinyl]-7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazole;3-[6-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)-2-pyridinyl]-7,7-dimethyl-1,4,5,6-tetrahydroindazole

C56H74N10O2 — CID 159737370

About 3-[6-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]-2-pyridinyl]-7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazole;3-[6-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)-2-pyridinyl]-7,7-dimethyl-1,4,5,6-tetrahydroindazole

3-[6-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]-2-pyridinyl]-7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazole;3-[6-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)-2-pyridinyl]-7,7-dimethyl-1,4,5,6-tetrahydroindazole (PubChem CID 159737370) has the molecular formula C56H74N10O2 and a molecular weight of 919.28 g/mol. Its IUPAC name is 3-[6-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]-2-pyridinyl]-7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazole;3-[6-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)-2-pyridinyl]-7,7-dimethyl-1,4,5,6-tetrahydroindazole.

Molecular Properties

• Compound Name: 3-[6-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]-2-pyridinyl]-7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazole;3-[6-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)-2-pyridinyl]-7,7-dimethyl-1,4,5,6-tetrahydroindazole
• PubChem CID: 159737370
• Molecular Formula: C56H74N10O2
• Molecular Weight: 919.28 g/mol
• Exact Mass: 918.60
• IUPAC Name: 3-[6-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]-2-pyridinyl]-7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazole;3-[6-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)-2-pyridinyl]-7,7-dimethyl-1,4,5,6-tetrahydroindazole
• SMILES: CC1(C)CCCc2c(-c3cccc(-c4n[nH]c5c4CCCC5(C)C)n3)n[nH]c21.CC1(C)CCCc2c1nn(C1CCCCO1)c2-c1cccc(-c2c3c(nn2C2CCCCO2)C(C)(C)CCC3)n1
• InChI: InChI=1S/C33H45N5O2.C23H29N5/c1-32(2)18-10-12-22-28(37(35-30(22)32)26-16-5-7-20-39-26)24-14-9-15-25(34-24)29-23-13-11-19-33(3,4)31(23)36-38(29)27-17-6-8-21-40-27;1-22(2)12-6-8-14-18(25-27-20(14)22)16-10-5-11-17(24-16)19-15-9-7-13-23(3,4)21(15)28-26-19/h9,14-15,26-27H,5-8,10-13,16-21H2,1-4H3;5,10-11H,6-9,12-13H2,1-4H3,(H,25,27)(H,26,28)
• InChIKey: NBZVFWCVZFRFLS-UHFFFAOYSA-N
• XLogP: 12.52
• TPSA: 137.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	919.28
LogP ≤ 5	12.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[6-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]-2-pyridinyl]-7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazole;3-[6-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)-2-pyridinyl]-7,7-dimethyl-1,4,5,6-tetrahydroindazole?

The IUPAC name of 3-[6-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]-2-pyridinyl]-7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazole;3-[6-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)-2-pyridinyl]-7,7-dimethyl-1,4,5,6-tetrahydroindazole (CID 159737370) is 3-[6-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]-2-pyridinyl]-7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazole;3-[6-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)-2-pyridinyl]-7,7-dimethyl-1,4,5,6-tetrahydroindazole.

What is the SMILES notation for 3-[6-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]-2-pyridinyl]-7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazole;3-[6-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)-2-pyridinyl]-7,7-dimethyl-1,4,5,6-tetrahydroindazole?

The canonical SMILES for 3-[6-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]-2-pyridinyl]-7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazole;3-[6-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)-2-pyridinyl]-7,7-dimethyl-1,4,5,6-tetrahydroindazole is CC1(C)CCCc2c(-c3cccc(-c4n[nH]c5c4CCCC5(C)C)n3)n[nH]c21.CC1(C)CCCc2c1nn(C1CCCCO1)c2-c1cccc(-c2c3c(nn2C2CCCCO2)C(C)(C)CCC3)n1.

What is the InChIKey of 3-[6-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]-2-pyridinyl]-7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazole;3-[6-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)-2-pyridinyl]-7,7-dimethyl-1,4,5,6-tetrahydroindazole?

The InChIKey is NBZVFWCVZFRFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45N5O2.C23H29N5/c1-32(2)18-10-12-22-28(37(35-30(22)32)26-16-5-7-20-39-26)24-14-9-15-25(34-24)29-23-13-11-19-33(3,4)31(23)36-38(29)27-17-6-8-21-40-27;1-22(2)12-6-8-14-18(25-27-20(14)22)16-10-5-11-17(24-16)19-15-9-7-13-23(3,4)21(15)28-26-19/h9,14-15,26-27H,5-8,10-13,16-21H2,1-4H3;5,10-11H,6-9,12-13H2,1-4H3,(H,25,27)(H,26,28).

What are the key properties of 3-[6-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]-2-pyridinyl]-7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazole;3-[6-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)-2-pyridinyl]-7,7-dimethyl-1,4,5,6-tetrahydroindazole?

3-[6-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]-2-pyridinyl]-7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazole;3-[6-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)-2-pyridinyl]-7,7-dimethyl-1,4,5,6-tetrahydroindazole has a molecular weight of 919.28 g/mol, XLogP of 12.52, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]-2-pyridinyl]-7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazole;3-[6-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)-2-pyridinyl]-7,7-dimethyl-1,4,5,6-tetrahydroindazole is sourced from PubChem (CID 159737370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).