2-cyclobutyl-1'-(3,7-dimethyl-2H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one

C24H28N6O2 — CID 73292366

IUPAC2-cyclobutyl-1'-(3,7-dimethyl-2H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
SMILESCc1[nH]nc2c(C)cc(C(=O)N3CCC4(CC3)Cc3cn(C5CCC5)nc3C(=O)N4)cc12
InChIInChI=1S/C24H28N6O2/c1-14-10-16(11-19-15(2)26-27-20(14)19)23(32)29-8-6-24(7-9-29)12-17-13-30(18-4-3-5-18)28-21(17)22(31)25-24/h10-11,13,18H,3-9,12H2,1-2H3,(H,25,31)(H,26,27)
InChIKeyXWOUDZDOYRSZQK-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.06
Rot. Bonds2

About 2-cyclobutyl-1'-(3,7-dimethyl-2H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one

2-cyclobutyl-1'-(3,7-dimethyl-2H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one (PubChem CID 73292366) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 2-cyclobutyl-1'-(3,7-dimethyl-2H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one.

Molecular Properties

Compound Name2-cyclobutyl-1'-(3,7-dimethyl-2H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
PubChem CID73292366
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name2-cyclobutyl-1'-(3,7-dimethyl-2H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
SMILESCc1[nH]nc2c(C)cc(C(=O)N3CCC4(CC3)Cc3cn(C5CCC5)nc3C(=O)N4)cc12
InChIInChI=1S/C24H28N6O2/c1-14-10-16(11-19-15(2)26-27-20(14)19)23(32)29-8-6-24(7-9-29)12-17-13-30(18-4-3-5-18)28-21(17)22(31)25-24/h10-11,13,18H,3-9,12H2,1-2H3,(H,25,31)(H,26,27)
InChIKeyXWOUDZDOYRSZQK-UHFFFAOYSA-N
XLogP3.06
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1'-(3,7-dimethyl-2H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one?
The IUPAC name of 2-cyclobutyl-1'-(3,7-dimethyl-2H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one (CID 73292366) is 2-cyclobutyl-1'-(3,7-dimethyl-2H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one.
What is the SMILES notation for 2-cyclobutyl-1'-(3,7-dimethyl-2H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one?
The canonical SMILES for 2-cyclobutyl-1'-(3,7-dimethyl-2H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one is Cc1[nH]nc2c(C)cc(C(=O)N3CCC4(CC3)Cc3cn(C5CCC5)nc3C(=O)N4)cc12.
What is the InChIKey of 2-cyclobutyl-1'-(3,7-dimethyl-2H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one?
The InChIKey is XWOUDZDOYRSZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-14-10-16(11-19-15(2)26-27-20(14)19)23(32)29-8-6-24(7-9-29)12-17-13-30(18-4-3-5-18)28-21(17)22(31)25-24/h10-11,13,18H,3-9,12H2,1-2H3,(H,25,31)(H,26,27).
What are the key properties of 2-cyclobutyl-1'-(3,7-dimethyl-2H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one?
2-cyclobutyl-1'-(3,7-dimethyl-2H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one has a molecular weight of 432.53 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1'-(3,7-dimethyl-2H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one is sourced from PubChem (CID 73292366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).