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

C22H26N6O2 — CID 56967888

IUPAC2-tert-butyl-1'-(1H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
SMILESCC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3ccc4[nH]ncc4c3)CC1)C2
InChIInChI=1S/C22H26N6O2/c1-21(2,3)28-13-16-11-22(24-19(29)18(16)26-28)6-8-27(9-7-22)20(30)14-4-5-17-15(10-14)12-23-25-17/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,23,25)(H,24,29)
InChIKeyUYALYOQTUSXACU-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.48
Rot. Bonds1

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

2-tert-butyl-1'-(1H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one (PubChem CID 56967888) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-tert-butyl-1'-(1H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one.

Molecular Properties

Compound Name2-tert-butyl-1'-(1H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
PubChem CID56967888
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name2-tert-butyl-1'-(1H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
SMILESCC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3ccc4[nH]ncc4c3)CC1)C2
InChIInChI=1S/C22H26N6O2/c1-21(2,3)28-13-16-11-22(24-19(29)18(16)26-28)6-8-27(9-7-22)20(30)14-4-5-17-15(10-14)12-23-25-17/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,23,25)(H,24,29)
InChIKeyUYALYOQTUSXACU-UHFFFAOYSA-N
XLogP2.48
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1'-(1H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one?
The IUPAC name of 2-tert-butyl-1'-(1H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one (CID 56967888) is 2-tert-butyl-1'-(1H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one.
What is the SMILES notation for 2-tert-butyl-1'-(1H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one?
The canonical SMILES for 2-tert-butyl-1'-(1H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one is CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3ccc4[nH]ncc4c3)CC1)C2.
What is the InChIKey of 2-tert-butyl-1'-(1H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one?
The InChIKey is UYALYOQTUSXACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-21(2,3)28-13-16-11-22(24-19(29)18(16)26-28)6-8-27(9-7-22)20(30)14-4-5-17-15(10-14)12-23-25-17/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,23,25)(H,24,29).
What are the key properties of 2-tert-butyl-1'-(1H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one?
2-tert-butyl-1'-(1H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one has a molecular weight of 406.49 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1'-(1H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one is sourced from PubChem (CID 56967888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).