3',6',6'-trimethyl-3-phenyl-1'-pyridin-2-ylspiro[3-azabicyclo[3.1.0]hexane-6,5'-7H-indazole]-2,4,4'-trione

C25H22N4O3 — CID 155979757

IUPAC3',6',6'-trimethyl-3-phenyl-1'-pyridin-2-ylspiro[3-azabicyclo[3.1.0]hexane-6,5'-7H-indazole]-2,4,4'-trione
SMILESCc1nn(-c2ccccn2)c2c1C(=O)C1(C3C(=O)N(c4ccccc4)C(=O)C31)C(C)(C)C2
InChIInChI=1S/C25H22N4O3/c1-14-18-16(29(27-14)17-11-7-8-12-26-17)13-24(2,3)25(21(18)30)19-20(25)23(32)28(22(19)31)15-9-5-4-6-10-15/h4-12,19-20H,13H2,1-3H3
InChIKeyKVHYUXYUEHIHPY-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.15
Rot. Bonds2

About 3',6',6'-trimethyl-3-phenyl-1'-pyridin-2-ylspiro[3-azabicyclo[3.1.0]hexane-6,5'-7H-indazole]-2,4,4'-trione

3',6',6'-trimethyl-3-phenyl-1'-pyridin-2-ylspiro[3-azabicyclo[3.1.0]hexane-6,5'-7H-indazole]-2,4,4'-trione (PubChem CID 155979757) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is 3',6',6'-trimethyl-3-phenyl-1'-pyridin-2-ylspiro[3-azabicyclo[3.1.0]hexane-6,5'-7H-indazole]-2,4,4'-trione.

Molecular Properties

Compound Name3',6',6'-trimethyl-3-phenyl-1'-pyridin-2-ylspiro[3-azabicyclo[3.1.0]hexane-6,5'-7H-indazole]-2,4,4'-trione
PubChem CID155979757
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC Name3',6',6'-trimethyl-3-phenyl-1'-pyridin-2-ylspiro[3-azabicyclo[3.1.0]hexane-6,5'-7H-indazole]-2,4,4'-trione
SMILESCc1nn(-c2ccccn2)c2c1C(=O)C1(C3C(=O)N(c4ccccc4)C(=O)C31)C(C)(C)C2
InChIInChI=1S/C25H22N4O3/c1-14-18-16(29(27-14)17-11-7-8-12-26-17)13-24(2,3)25(21(18)30)19-20(25)23(32)28(22(19)31)15-9-5-4-6-10-15/h4-12,19-20H,13H2,1-3H3
InChIKeyKVHYUXYUEHIHPY-UHFFFAOYSA-N
XLogP3.15
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3',6',6'-trimethyl-3-phenyl-1'-pyridin-2-ylspiro[3-azabicyclo[3.1.0]hexane-6,5'-7H-indazole]-2,4,4'-trione 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

dimethyl 3,6,6-trimethyl-4-oxo-1-pyridin-2-ylspiro[7H-indazole-5,5'-pyrazole]-3',4'-dicarboxylate
CID 155979760
3,6-dimethyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one
CID 22732861
8-bromo-3,7,7-trimethyl-1-pyridin-2-yl-6,8-dihydro-5H-pyrazolo[4,5-c]azepin-4-one
CID 162668581
(3R,3aS,6aS)-3-methyl-1,5-diphenyl-3-pyridin-2-yl-3a,6a-dihydro-2H-pyrrolo[3,4-c]pyrazole-4,6-dione
CID 134925028
(6S)-6-(furan-2-yl)-3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one
CID 675383
1-(3,6,6-trimethyl-4-oxo-1-pyridin-2-yl-5,7-dihydroindazol-7-yl)triazole-4-carbaldehyde
CID 101465504
(1R,2S,6R,7S)-1,7,8,9,10-pentamethyl-3,5-dioxo-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-10-carbaldehyde
CID 101031686
2-chloro-N-(3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydro-4H-indazol-4-yl)acetamide
CID 155979881
7-bromo-3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-one
CID 5121882
(3aR,4S,7S,7aS)-4,7-dimethyl-2-phenyl-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
CID 99721737
(3R)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 98234962
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine
CID 19682926

Frequently Asked Questions

What is the IUPAC name of 3',6',6'-trimethyl-3-phenyl-1'-pyridin-2-ylspiro[3-azabicyclo[3.1.0]hexane-6,5'-7H-indazole]-2,4,4'-trione?
The IUPAC name of 3',6',6'-trimethyl-3-phenyl-1'-pyridin-2-ylspiro[3-azabicyclo[3.1.0]hexane-6,5'-7H-indazole]-2,4,4'-trione (CID 155979757) is 3',6',6'-trimethyl-3-phenyl-1'-pyridin-2-ylspiro[3-azabicyclo[3.1.0]hexane-6,5'-7H-indazole]-2,4,4'-trione.
What is the SMILES notation for 3',6',6'-trimethyl-3-phenyl-1'-pyridin-2-ylspiro[3-azabicyclo[3.1.0]hexane-6,5'-7H-indazole]-2,4,4'-trione?
The canonical SMILES for 3',6',6'-trimethyl-3-phenyl-1'-pyridin-2-ylspiro[3-azabicyclo[3.1.0]hexane-6,5'-7H-indazole]-2,4,4'-trione is Cc1nn(-c2ccccn2)c2c1C(=O)C1(C3C(=O)N(c4ccccc4)C(=O)C31)C(C)(C)C2.
What is the InChIKey of 3',6',6'-trimethyl-3-phenyl-1'-pyridin-2-ylspiro[3-azabicyclo[3.1.0]hexane-6,5'-7H-indazole]-2,4,4'-trione?
The InChIKey is KVHYUXYUEHIHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-14-18-16(29(27-14)17-11-7-8-12-26-17)13-24(2,3)25(21(18)30)19-20(25)23(32)28(22(19)31)15-9-5-4-6-10-15/h4-12,19-20H,13H2,1-3H3.
What are the key properties of 3',6',6'-trimethyl-3-phenyl-1'-pyridin-2-ylspiro[3-azabicyclo[3.1.0]hexane-6,5'-7H-indazole]-2,4,4'-trione?
3',6',6'-trimethyl-3-phenyl-1'-pyridin-2-ylspiro[3-azabicyclo[3.1.0]hexane-6,5'-7H-indazole]-2,4,4'-trione has a molecular weight of 426.48 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3',6',6'-trimethyl-3-phenyl-1'-pyridin-2-ylspiro[3-azabicyclo[3.1.0]hexane-6,5'-7H-indazole]-2,4,4'-trione is sourced from PubChem (CID 155979757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).