1-tert-butyl-5'-methyl-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione

C21H24N4O2 — CID 135655683

IUPAC1-tert-butyl-5'-methyl-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
SMILESC=CCN1C(=O)C2(CC(=O)Nc3c2cnn3C(C)(C)C)c2cc(C)ccc21
InChIInChI=1S/C21H24N4O2/c1-6-9-24-16-8-7-13(2)10-14(16)21(19(24)27)11-17(26)23-18-15(21)12-22-25(18)20(3,4)5/h6-8,10,12H,1,9,11H2,2-5H3,(H,23,26)
InChIKeyLKQKWKHSYDHIBT-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.11
Rot. Bonds2

About 1-tert-butyl-5'-methyl-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione

1-tert-butyl-5'-methyl-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione (PubChem CID 135655683) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-tert-butyl-5'-methyl-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.

Molecular Properties

Compound Name1-tert-butyl-5'-methyl-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
PubChem CID135655683
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-tert-butyl-5'-methyl-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
SMILESC=CCN1C(=O)C2(CC(=O)Nc3c2cnn3C(C)(C)C)c2cc(C)ccc21
InChIInChI=1S/C21H24N4O2/c1-6-9-24-16-8-7-13(2)10-14(16)21(19(24)27)11-17(26)23-18-15(21)12-22-25(18)20(3,4)5/h6-8,10,12H,1,9,11H2,2-5H3,(H,23,26)
InChIKeyLKQKWKHSYDHIBT-UHFFFAOYSA-N
XLogP3.11
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5'-methyl-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The IUPAC name of 1-tert-butyl-5'-methyl-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione (CID 135655683) is 1-tert-butyl-5'-methyl-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.
What is the SMILES notation for 1-tert-butyl-5'-methyl-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The canonical SMILES for 1-tert-butyl-5'-methyl-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione is C=CCN1C(=O)C2(CC(=O)Nc3c2cnn3C(C)(C)C)c2cc(C)ccc21.
What is the InChIKey of 1-tert-butyl-5'-methyl-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The InChIKey is LKQKWKHSYDHIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-6-9-24-16-8-7-13(2)10-14(16)21(19(24)27)11-17(26)23-18-15(21)12-22-25(18)20(3,4)5/h6-8,10,12H,1,9,11H2,2-5H3,(H,23,26).
What are the key properties of 1-tert-butyl-5'-methyl-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
1-tert-butyl-5'-methyl-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione has a molecular weight of 364.45 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5'-methyl-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione is sourced from PubChem (CID 135655683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).