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

C24H27N5O2 — CID 91937980

IUPAC2-tert-butyl-1'-(quinoline-6-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)c3ccc4ncccc4c3)CC1)C2
InChIInChI=1S/C24H27N5O2/c1-23(2,3)29-15-18-14-24(26-21(30)20(18)27-29)8-11-28(12-9-24)22(31)17-6-7-19-16(13-17)5-4-10-25-19/h4-7,10,13,15H,8-9,11-12,14H2,1-3H3,(H,26,30)
InChIKeyHPPUJPGDAILXAX-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.15
Rot. Bonds1

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

2-tert-butyl-1'-(quinoline-6-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one (PubChem CID 91937980) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-tert-butyl-1'-(quinoline-6-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one.

Molecular Properties

Compound Name2-tert-butyl-1'-(quinoline-6-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
PubChem CID91937980
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name2-tert-butyl-1'-(quinoline-6-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)c3ccc4ncccc4c3)CC1)C2
InChIInChI=1S/C24H27N5O2/c1-23(2,3)29-15-18-14-24(26-21(30)20(18)27-29)8-11-28(12-9-24)22(31)17-6-7-19-16(13-17)5-4-10-25-19/h4-7,10,13,15H,8-9,11-12,14H2,1-3H3,(H,26,30)
InChIKeyHPPUJPGDAILXAX-UHFFFAOYSA-N
XLogP3.15
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1'-(quinoline-6-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one?
The IUPAC name of 2-tert-butyl-1'-(quinoline-6-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one (CID 91937980) is 2-tert-butyl-1'-(quinoline-6-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one.
What is the SMILES notation for 2-tert-butyl-1'-(quinoline-6-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one?
The canonical SMILES for 2-tert-butyl-1'-(quinoline-6-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)c3ccc4ncccc4c3)CC1)C2.
What is the InChIKey of 2-tert-butyl-1'-(quinoline-6-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one?
The InChIKey is HPPUJPGDAILXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-23(2,3)29-15-18-14-24(26-21(30)20(18)27-29)8-11-28(12-9-24)22(31)17-6-7-19-16(13-17)5-4-10-25-19/h4-7,10,13,15H,8-9,11-12,14H2,1-3H3,(H,26,30).
What are the key properties of 2-tert-butyl-1'-(quinoline-6-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one?
2-tert-butyl-1'-(quinoline-6-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one has a molecular weight of 417.51 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1'-(quinoline-6-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one is sourced from PubChem (CID 91937980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).