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

C23H19ClN4O2 — CID 135940776

IUPAC(4S)-5'-chloro-1-(2-methylphenyl)-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
SMILESC=CCN1C(=O)[C@@]2(CC(=O)Nc3c2cnn3-c2ccccc2C)c2cc(Cl)ccc21
InChIInChI=1S/C23H19ClN4O2/c1-3-10-27-19-9-8-15(24)11-16(19)23(22(27)30)12-20(29)26-21-17(23)13-25-28(21)18-7-5-4-6-14(18)2/h3-9,11,13H,1,10,12H2,2H3,(H,26,29)/t23-/m0/s1
InChIKeyFTJPYMONOLCIJI-QHCPKHFHSA-N
MW418.88 g/mol
LogP4.00
Rot. Bonds3

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

(4S)-5'-chloro-1-(2-methylphenyl)-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione (PubChem CID 135940776) has the molecular formula C23H19ClN4O2 and a molecular weight of 418.88 g/mol. Its IUPAC name is (4S)-5'-chloro-1-(2-methylphenyl)-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.

Molecular Properties

Compound Name(4S)-5'-chloro-1-(2-methylphenyl)-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
PubChem CID135940776
Molecular FormulaC23H19ClN4O2
Molecular Weight418.88 g/mol
Exact Mass418.12
IUPAC Name(4S)-5'-chloro-1-(2-methylphenyl)-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
SMILESC=CCN1C(=O)[C@@]2(CC(=O)Nc3c2cnn3-c2ccccc2C)c2cc(Cl)ccc21
InChIInChI=1S/C23H19ClN4O2/c1-3-10-27-19-9-8-15(24)11-16(19)23(22(27)30)12-20(29)26-21-17(23)13-25-28(21)18-7-5-4-6-14(18)2/h3-9,11,13H,1,10,12H2,2H3,(H,26,29)/t23-/m0/s1
InChIKeyFTJPYMONOLCIJI-QHCPKHFHSA-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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Related Compounds

1-(4-chlorophenyl)-5'-methyl-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135655591
1-(3-chlorophenyl)-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135655268
5'-chloro-1-(2,4-dimethylphenyl)-1'-ethylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135654722
(4S)-5'-fluoro-1-(2-methylphenyl)-1'-prop-2-ynylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135940658
1-tert-butyl-5'-methyl-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135655683
(4S)-1-(3-chlorophenyl)-1'-ethyl-5'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135882829
1-(2-chlorophenyl)-1'-propylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135654543
(4R)-6'-fluoro-1-(2-methylphenyl)-1'-prop-2-ynylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135940980
2-[(4R)-1-(2,3-dimethylphenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
CID 135882834
(3S)-7-chloro-1'-(2-methylphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135950726
1-(4-chlorophenyl)-1'-prop-2-ynylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135655777
2-[1-(3-chlorophenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
CID 135655086

Frequently Asked Questions

What is the IUPAC name of (4S)-5'-chloro-1-(2-methylphenyl)-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The IUPAC name of (4S)-5'-chloro-1-(2-methylphenyl)-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione (CID 135940776) is (4S)-5'-chloro-1-(2-methylphenyl)-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.
What is the SMILES notation for (4S)-5'-chloro-1-(2-methylphenyl)-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The canonical SMILES for (4S)-5'-chloro-1-(2-methylphenyl)-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione is C=CCN1C(=O)[C@@]2(CC(=O)Nc3c2cnn3-c2ccccc2C)c2cc(Cl)ccc21.
What is the InChIKey of (4S)-5'-chloro-1-(2-methylphenyl)-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The InChIKey is FTJPYMONOLCIJI-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H19ClN4O2/c1-3-10-27-19-9-8-15(24)11-16(19)23(22(27)30)12-20(29)26-21-17(23)13-25-28(21)18-7-5-4-6-14(18)2/h3-9,11,13H,1,10,12H2,2H3,(H,26,29)/t23-/m0/s1.
What are the key properties of (4S)-5'-chloro-1-(2-methylphenyl)-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
(4S)-5'-chloro-1-(2-methylphenyl)-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 (4S)-5'-chloro-1-(2-methylphenyl)-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione is sourced from PubChem (CID 135940776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).