1-(3,4-dimethylphenyl)-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione

C25H26N4O2 — CID 135654919

IUPAC1-(3,4-dimethylphenyl)-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
SMILESCc1ccc(-n2ncc3c2NC(=O)CC32C(=O)N(CC(C)C)c3ccccc32)cc1C
InChIInChI=1S/C25H26N4O2/c1-15(2)14-28-21-8-6-5-7-19(21)25(24(28)31)12-22(30)27-23-20(25)13-26-29(23)18-10-9-16(3)17(4)11-18/h5-11,13,15H,12,14H2,1-4H3,(H,27,30)
InChIKeyJOSWXORBRASBDL-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.12
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione

1-(3,4-dimethylphenyl)-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione (PubChem CID 135654919) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
PubChem CID135654919
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name1-(3,4-dimethylphenyl)-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
SMILESCc1ccc(-n2ncc3c2NC(=O)CC32C(=O)N(CC(C)C)c3ccccc32)cc1C
InChIInChI=1S/C25H26N4O2/c1-15(2)14-28-21-8-6-5-7-19(21)25(24(28)31)12-22(30)27-23-20(25)13-26-29(23)18-10-9-16(3)17(4)11-18/h5-11,13,15H,12,14H2,1-4H3,(H,27,30)
InChIKeyJOSWXORBRASBDL-UHFFFAOYSA-N
XLogP4.12
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The IUPAC name of 1-(3,4-dimethylphenyl)-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione (CID 135654919) is 1-(3,4-dimethylphenyl)-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The canonical SMILES for 1-(3,4-dimethylphenyl)-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione is Cc1ccc(-n2ncc3c2NC(=O)CC32C(=O)N(CC(C)C)c3ccccc32)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The InChIKey is JOSWXORBRASBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-15(2)14-28-21-8-6-5-7-19(21)25(24(28)31)12-22(30)27-23-20(25)13-26-29(23)18-10-9-16(3)17(4)11-18/h5-11,13,15H,12,14H2,1-4H3,(H,27,30).
What are the key properties of 1-(3,4-dimethylphenyl)-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
1-(3,4-dimethylphenyl)-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione has a molecular weight of 414.51 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione is sourced from PubChem (CID 135654919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).