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

C23H21FN4O2 — CID 135654482

IUPAC1-(3,4-dimethylphenyl)-1'-ethyl-6'-fluorospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
SMILESCCN1C(=O)C2(CC(=O)Nc3c2cnn3-c2ccc(C)c(C)c2)c2ccc(F)cc21
InChIInChI=1S/C23H21FN4O2/c1-4-27-19-10-15(24)6-8-17(19)23(22(27)30)11-20(29)26-21-18(23)12-25-28(21)16-7-5-13(2)14(3)9-16/h5-10,12H,4,11H2,1-3H3,(H,26,29)
InChIKeyZSUDTAXLGUJNPH-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.62
Rot. Bonds2

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

1-(3,4-dimethylphenyl)-1'-ethyl-6'-fluorospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione (PubChem CID 135654482) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-1'-ethyl-6'-fluorospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-1'-ethyl-6'-fluorospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
PubChem CID135654482
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name1-(3,4-dimethylphenyl)-1'-ethyl-6'-fluorospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
SMILESCCN1C(=O)C2(CC(=O)Nc3c2cnn3-c2ccc(C)c(C)c2)c2ccc(F)cc21
InChIInChI=1S/C23H21FN4O2/c1-4-27-19-10-15(24)6-8-17(19)23(22(27)30)11-20(29)26-21-18(23)12-25-28(21)16-7-5-13(2)14(3)9-16/h5-10,12H,4,11H2,1-3H3,(H,26,29)
InChIKeyZSUDTAXLGUJNPH-UHFFFAOYSA-N
XLogP3.62
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-7'-chloro-1-(3,4-dimethylphenyl)-1'-ethylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135953756
(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
1-(3,4-dimethylphenyl)-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135654919
(4S)-1-(3,4-dimethylphenyl)-7'-methyl-1'-prop-2-ynylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135940784
1'-ethyl-1-[4-(trifluoromethoxy)phenyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135655611
(4S)-1-(3-chlorophenyl)-1'-ethyl-5'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135882829
(4S)-1'-ethyl-1-(4-methoxyphenyl)-5'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135941005
(4S)-1'-ethyl-7'-methyl-1-phenylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135941042
(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
5'-chloro-1-(2,4-dimethylphenyl)-1'-ethylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135654722
1'-(3,5-dimethylphenyl)-6-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135655217
1-(3-chlorophenyl)-7'-methyl-1'-prop-2-ynylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135655296

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-1'-ethyl-6'-fluorospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The IUPAC name of 1-(3,4-dimethylphenyl)-1'-ethyl-6'-fluorospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione (CID 135654482) is 1-(3,4-dimethylphenyl)-1'-ethyl-6'-fluorospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-1'-ethyl-6'-fluorospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The canonical SMILES for 1-(3,4-dimethylphenyl)-1'-ethyl-6'-fluorospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione is CCN1C(=O)C2(CC(=O)Nc3c2cnn3-c2ccc(C)c(C)c2)c2ccc(F)cc21.
What is the InChIKey of 1-(3,4-dimethylphenyl)-1'-ethyl-6'-fluorospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The InChIKey is ZSUDTAXLGUJNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-4-27-19-10-15(24)6-8-17(19)23(22(27)30)11-20(29)26-21-18(23)12-25-28(21)16-7-5-13(2)14(3)9-16/h5-10,12H,4,11H2,1-3H3,(H,26,29).
What are the key properties of 1-(3,4-dimethylphenyl)-1'-ethyl-6'-fluorospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
1-(3,4-dimethylphenyl)-1'-ethyl-6'-fluorospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione has a molecular weight of 404.45 g/mol, XLogP of 3.62, 2 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'-ethyl-6'-fluorospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione is sourced from PubChem (CID 135654482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).