tert-butyl 2-tert-butyl-7-oxospiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-1'-carboxylate

C19H30N4O3 — CID 67491594

IUPACtert-butyl 2-tert-butyl-7-oxospiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)Cc1cn(C(C)(C)C)nc1C(=O)N2
InChIInChI=1S/C19H30N4O3/c1-17(2,3)23-12-13-11-19(20-15(24)14(13)21-23)7-9-22(10-8-19)16(25)26-18(4,5)6/h12H,7-11H2,1-6H3,(H,20,24)
InChIKeyGNFHKLLEXDIZBL-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.69
Rot. Bonds

About tert-butyl 2-tert-butyl-7-oxospiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-1'-carboxylate

tert-butyl 2-tert-butyl-7-oxospiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-1'-carboxylate (PubChem CID 67491594) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is tert-butyl 2-tert-butyl-7-oxospiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-tert-butyl-7-oxospiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-1'-carboxylate
PubChem CID67491594
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Nametert-butyl 2-tert-butyl-7-oxospiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)Cc1cn(C(C)(C)C)nc1C(=O)N2
InChIInChI=1S/C19H30N4O3/c1-17(2,3)23-12-13-11-19(20-15(24)14(13)21-23)7-9-22(10-8-19)16(25)26-18(4,5)6/h12H,7-11H2,1-6H3,(H,20,24)
InChIKeyGNFHKLLEXDIZBL-UHFFFAOYSA-N
XLogP2.69
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-tert-butyl-7-oxospiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 2-tert-butyl-7-oxospiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-1'-carboxylate (CID 67491594) is tert-butyl 2-tert-butyl-7-oxospiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 2-tert-butyl-7-oxospiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 2-tert-butyl-7-oxospiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)Cc1cn(C(C)(C)C)nc1C(=O)N2.
What is the InChIKey of tert-butyl 2-tert-butyl-7-oxospiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-1'-carboxylate?
The InChIKey is GNFHKLLEXDIZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-17(2,3)23-12-13-11-19(20-15(24)14(13)21-23)7-9-22(10-8-19)16(25)26-18(4,5)6/h12H,7-11H2,1-6H3,(H,20,24).
What are the key properties of tert-butyl 2-tert-butyl-7-oxospiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-1'-carboxylate?
tert-butyl 2-tert-butyl-7-oxospiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-1'-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-tert-butyl-7-oxospiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 67491594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).