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

C23H28N6O3 — CID 91937991

IUPAC2-tert-butyl-1'-(3-methoxy-1H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
SMILESCOc1n[nH]c2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc12
InChIInChI=1S/C23H28N6O3/c1-22(2,3)29-13-15-12-23(24-19(30)18(15)27-29)7-9-28(10-8-23)21(31)14-5-6-17-16(11-14)20(32-4)26-25-17/h5-6,11,13H,7-10,12H2,1-4H3,(H,24,30)(H,25,26)
InChIKeyJFSBEWXEMOKQAU-UHFFFAOYSA-N
MW436.52 g/mol
LogP2.48
Rot. Bonds2

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

2-tert-butyl-1'-(3-methoxy-1H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one (PubChem CID 91937991) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is 2-tert-butyl-1'-(3-methoxy-1H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one.

Molecular Properties

Compound Name2-tert-butyl-1'-(3-methoxy-1H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
PubChem CID91937991
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Name2-tert-butyl-1'-(3-methoxy-1H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
SMILESCOc1n[nH]c2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc12
InChIInChI=1S/C23H28N6O3/c1-22(2,3)29-13-15-12-23(24-19(30)18(15)27-29)7-9-28(10-8-23)21(31)14-5-6-17-16(11-14)20(32-4)26-25-17/h5-6,11,13H,7-10,12H2,1-4H3,(H,24,30)(H,25,26)
InChIKeyJFSBEWXEMOKQAU-UHFFFAOYSA-N
XLogP2.48
TPSA105.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1'-(3-methoxy-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'-(3-methoxy-1H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one (CID 91937991) is 2-tert-butyl-1'-(3-methoxy-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'-(3-methoxy-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'-(3-methoxy-1H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one is COc1n[nH]c2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc12.
What is the InChIKey of 2-tert-butyl-1'-(3-methoxy-1H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one?
The InChIKey is JFSBEWXEMOKQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-22(2,3)29-13-15-12-23(24-19(30)18(15)27-29)7-9-28(10-8-23)21(31)14-5-6-17-16(11-14)20(32-4)26-25-17/h5-6,11,13H,7-10,12H2,1-4H3,(H,24,30)(H,25,26).
What are the key properties of 2-tert-butyl-1'-(3-methoxy-1H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one?
2-tert-butyl-1'-(3-methoxy-1H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one has a molecular weight of 436.52 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1'-(3-methoxy-1H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one is sourced from PubChem (CID 91937991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).