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

C26H30N4O3 — CID 91937967

IUPAC2-tert-butyl-1'-(6-methoxynaphthalene-2-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
SMILESCOc1ccc2cc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)ccc2c1
InChIInChI=1S/C26H30N4O3/c1-25(2,3)30-16-20-15-26(27-23(31)22(20)28-30)9-11-29(12-10-26)24(32)19-6-5-18-14-21(33-4)8-7-17(18)13-19/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,27,31)
InChIKeyJRWPLCRZNWTISI-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.76
Rot. Bonds2

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

2-tert-butyl-1'-(6-methoxynaphthalene-2-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one (PubChem CID 91937967) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 2-tert-butyl-1'-(6-methoxynaphthalene-2-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one.

Molecular Properties

Compound Name2-tert-butyl-1'-(6-methoxynaphthalene-2-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
PubChem CID91937967
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name2-tert-butyl-1'-(6-methoxynaphthalene-2-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
SMILESCOc1ccc2cc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)ccc2c1
InChIInChI=1S/C26H30N4O3/c1-25(2,3)30-16-20-15-26(27-23(31)22(20)28-30)9-11-29(12-10-26)24(32)19-6-5-18-14-21(33-4)8-7-17(18)13-19/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,27,31)
InChIKeyJRWPLCRZNWTISI-UHFFFAOYSA-N
XLogP3.76
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-1'-(7-methoxynaphthalene-2-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 91937969
2-tert-butyl-1'-(1-methoxyisoquinoline-6-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 91937998
2-tert-butyl-1'-[3-(methylamino)isoquinoline-6-carbonyl]spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 91937987
2-tert-butyl-1'-[2-(cyclobutylamino)quinoline-7-carbonyl]spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 91938007
2-tert-butyl-1'-(3-chloro-1H-pyrrolo[3,2-b]pyridine-6-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 73292555
2-tert-butyl-1'-[1-(dimethylamino)isoquinoline-7-carbonyl]spiro[4,5-dihydroindazole-6,4'-piperidine]-7-one
CID 67491452
1'-(3-methoxybenzoyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
CID 134792987
5-(2-tert-butyl-7-oxospiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-N-cyclopropyl-1H-indazole-3-carboxamide
CID 70674017
5-(2-tert-butyl-7-oxospiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-N-(2,2,2-trifluoroethyl)-1H-indazole-3-carboxamide
CID 70673648
2-tert-butyl-1'-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
CID 44519836
1-(6-methoxynaphthalene-2-carbonyl)piperidine-2,6-dione
CID 132604473
4-(6-methoxynaphthalene-2-carbonyl)benzoic acid
CID 70129561

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1'-(6-methoxynaphthalene-2-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one?
The IUPAC name of 2-tert-butyl-1'-(6-methoxynaphthalene-2-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one (CID 91937967) is 2-tert-butyl-1'-(6-methoxynaphthalene-2-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one.
What is the SMILES notation for 2-tert-butyl-1'-(6-methoxynaphthalene-2-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one?
The canonical SMILES for 2-tert-butyl-1'-(6-methoxynaphthalene-2-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one is COc1ccc2cc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)ccc2c1.
What is the InChIKey of 2-tert-butyl-1'-(6-methoxynaphthalene-2-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one?
The InChIKey is JRWPLCRZNWTISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-25(2,3)30-16-20-15-26(27-23(31)22(20)28-30)9-11-29(12-10-26)24(32)19-6-5-18-14-21(33-4)8-7-17(18)13-19/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,27,31).
What are the key properties of 2-tert-butyl-1'-(6-methoxynaphthalene-2-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one?
2-tert-butyl-1'-(6-methoxynaphthalene-2-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one has a molecular weight of 446.55 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1'-(6-methoxynaphthalene-2-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one is sourced from PubChem (CID 91937967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).