1,1'-di(propan-2-yl)spiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione

C19H22N4O3 — CID 53367666

IUPAC1,1'-di(propan-2-yl)spiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione
SMILESCC(C)N1C(=O)C2(CC(=O)Nc3c2c(=O)[nH]n3C(C)C)c2ccccc21
InChIInChI=1S/C19H22N4O3/c1-10(2)22-13-8-6-5-7-12(13)19(18(22)26)9-14(24)20-16-15(19)17(25)21-23(16)11(3)4/h5-8,10-11H,9H2,1-4H3,(H,20,24)(H,21,25)
InChIKeyZJXWVPFSEDWOIV-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.14
Rot. Bonds2

About 1,1'-di(propan-2-yl)spiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione

1,1'-di(propan-2-yl)spiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione (PubChem CID 53367666) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1,1'-di(propan-2-yl)spiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione.

Molecular Properties

Compound Name1,1'-di(propan-2-yl)spiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione
PubChem CID53367666
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name1,1'-di(propan-2-yl)spiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione
SMILESCC(C)N1C(=O)C2(CC(=O)Nc3c2c(=O)[nH]n3C(C)C)c2ccccc21
InChIInChI=1S/C19H22N4O3/c1-10(2)22-13-8-6-5-7-12(13)19(18(22)26)9-14(24)20-16-15(19)17(25)21-23(16)11(3)4/h5-8,10-11H,9H2,1-4H3,(H,20,24)(H,21,25)
InChIKeyZJXWVPFSEDWOIV-UHFFFAOYSA-N
XLogP2.14
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1'-di(propan-2-yl)spiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione?
The IUPAC name of 1,1'-di(propan-2-yl)spiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione (CID 53367666) is 1,1'-di(propan-2-yl)spiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione.
What is the SMILES notation for 1,1'-di(propan-2-yl)spiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione?
The canonical SMILES for 1,1'-di(propan-2-yl)spiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione is CC(C)N1C(=O)C2(CC(=O)Nc3c2c(=O)[nH]n3C(C)C)c2ccccc21.
What is the InChIKey of 1,1'-di(propan-2-yl)spiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione?
The InChIKey is ZJXWVPFSEDWOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-10(2)22-13-8-6-5-7-12(13)19(18(22)26)9-14(24)20-16-15(19)17(25)21-23(16)11(3)4/h5-8,10-11H,9H2,1-4H3,(H,20,24)(H,21,25).
What are the key properties of 1,1'-di(propan-2-yl)spiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione?
1,1'-di(propan-2-yl)spiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione has a molecular weight of 354.41 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-di(propan-2-yl)spiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione is sourced from PubChem (CID 53367666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).