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

C23H19ClN4O2 — CID 135655591

IUPAC1-(4-chlorophenyl)-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)Nc3c2cnn3-c2ccc(Cl)cc2)c2cc(C)ccc21
InChIInChI=1S/C23H19ClN4O2/c1-3-10-27-19-9-4-14(2)11-17(19)23(22(27)30)12-20(29)26-21-18(23)13-25-28(21)16-7-5-15(24)6-8-16/h3-9,11,13H,1,10,12H2,2H3,(H,26,29)
InChIKeyAVOSYXYQWFYAPY-UHFFFAOYSA-N
MW418.88 g/mol
LogP4.00
Rot. Bonds3

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

1-(4-chlorophenyl)-5'-methyl-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione (PubChem CID 135655591) has the molecular formula C23H19ClN4O2 and a molecular weight of 418.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5'-methyl-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5'-methyl-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
PubChem CID135655591
Molecular FormulaC23H19ClN4O2
Molecular Weight418.88 g/mol
Exact Mass418.12
IUPAC Name1-(4-chlorophenyl)-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)Nc3c2cnn3-c2ccc(Cl)cc2)c2cc(C)ccc21
InChIInChI=1S/C23H19ClN4O2/c1-3-10-27-19-9-4-14(2)11-17(19)23(22(27)30)12-20(29)26-21-18(23)13-25-28(21)16-7-5-15(24)6-8-16/h3-9,11,13H,1,10,12H2,2H3,(H,26,29)
InChIKeyAVOSYXYQWFYAPY-UHFFFAOYSA-N
XLogP4.00
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 54.00
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-(4-chlorophenyl)-5'-methyl-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The IUPAC name of 1-(4-chlorophenyl)-5'-methyl-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione (CID 135655591) is 1-(4-chlorophenyl)-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-(4-chlorophenyl)-5'-methyl-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The canonical SMILES for 1-(4-chlorophenyl)-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)Nc3c2cnn3-c2ccc(Cl)cc2)c2cc(C)ccc21.
What is the InChIKey of 1-(4-chlorophenyl)-5'-methyl-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The InChIKey is AVOSYXYQWFYAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O2/c1-3-10-27-19-9-4-14(2)11-17(19)23(22(27)30)12-20(29)26-21-18(23)13-25-28(21)16-7-5-15(24)6-8-16/h3-9,11,13H,1,10,12H2,2H3,(H,26,29).
What are the key properties of 1-(4-chlorophenyl)-5'-methyl-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
1-(4-chlorophenyl)-5'-methyl-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione has a molecular weight of 418.88 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5'-methyl-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione is sourced from PubChem (CID 135655591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).