2-tert-butyl-8'-(3,7-dimethyl-2H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,3'-8-azabicyclo[3.2.1]octane]-7-one

C26H32N6O2 — CID 91928573

About 2-tert-butyl-8'-(3,7-dimethyl-2H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,3'-8-azabicyclo[3.2.1]octane]-7-one

2-tert-butyl-8'-(3,7-dimethyl-2H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,3'-8-azabicyclo[3.2.1]octane]-7-one (PubChem CID 91928573) has the molecular formula C26H32N6O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 2-tert-butyl-8'-(3,7-dimethyl-2H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,3'-8-azabicyclo[3.2.1]octane]-7-one.

Molecular Properties

• Compound Name: 2-tert-butyl-8'-(3,7-dimethyl-2H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,3'-8-azabicyclo[3.2.1]octane]-7-one
• PubChem CID: 91928573
• Molecular Formula: C26H32N6O2
• Molecular Weight: 460.58 g/mol
• Exact Mass: 460.26
• IUPAC Name: 2-tert-butyl-8'-(3,7-dimethyl-2H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,3'-8-azabicyclo[3.2.1]octane]-7-one
• SMILES: Cc1[nH]nc2c(C)cc(C(=O)N3C4CCC3CC3(Cc5cn(C(C)(C)C)nc5C(=O)N3)C4)cc12
• InChI: InChI=1S/C26H32N6O2/c1-14-8-16(9-20-15(2)28-29-21(14)20)24(34)32-18-6-7-19(32)12-26(11-18)10-17-13-31(25(3,4)5)30-22(17)23(33)27-26/h8-9,13,18-19H,6-7,10-12H2,1-5H3,(H,27,33)(H,28,29)
• InChIKey: WHMJWAVNKJMDPE-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 95.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.58
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-8'-(3,7-dimethyl-2H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,3'-8-azabicyclo[3.2.1]octane]-7-one?

The IUPAC name of 2-tert-butyl-8'-(3,7-dimethyl-2H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,3'-8-azabicyclo[3.2.1]octane]-7-one (CID 91928573) is 2-tert-butyl-8'-(3,7-dimethyl-2H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,3'-8-azabicyclo[3.2.1]octane]-7-one.

What is the SMILES notation for 2-tert-butyl-8'-(3,7-dimethyl-2H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,3'-8-azabicyclo[3.2.1]octane]-7-one?

The canonical SMILES for 2-tert-butyl-8'-(3,7-dimethyl-2H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,3'-8-azabicyclo[3.2.1]octane]-7-one is Cc1[nH]nc2c(C)cc(C(=O)N3C4CCC3CC3(Cc5cn(C(C)(C)C)nc5C(=O)N3)C4)cc12.

What is the InChIKey of 2-tert-butyl-8'-(3,7-dimethyl-2H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,3'-8-azabicyclo[3.2.1]octane]-7-one?

The InChIKey is WHMJWAVNKJMDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2/c1-14-8-16(9-20-15(2)28-29-21(14)20)24(34)32-18-6-7-19(32)12-26(11-18)10-17-13-31(25(3,4)5)30-22(17)23(33)27-26/h8-9,13,18-19H,6-7,10-12H2,1-5H3,(H,27,33)(H,28,29).

What are the key properties of 2-tert-butyl-8'-(3,7-dimethyl-2H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,3'-8-azabicyclo[3.2.1]octane]-7-one?

2-tert-butyl-8'-(3,7-dimethyl-2H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,3'-8-azabicyclo[3.2.1]octane]-7-one has a molecular weight of 460.58 g/mol, XLogP of 3.62, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-8'-(3,7-dimethyl-2H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,3'-8-azabicyclo[3.2.1]octane]-7-one is sourced from PubChem (CID 91928573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).