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

C21H17FN4O2 — CID 135655217

IUPAC1'-(3,5-dimethylphenyl)-6-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
SMILESCc1cc(C)cc(-n2ncc3c2NC(=O)CC32C(=O)Nc3cc(F)ccc32)c1
InChIInChI=1S/C21H17FN4O2/c1-11-5-12(2)7-14(6-11)26-19-16(10-23-26)21(9-18(27)25-19)15-4-3-13(22)8-17(15)24-20(21)28/h3-8,10H,9H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyZIFGJTDAMMYCPV-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.21
Rot. Bonds1

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

1'-(3,5-dimethylphenyl)-6-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione (PubChem CID 135655217) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is 1'-(3,5-dimethylphenyl)-6-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione.

Molecular Properties

Compound Name1'-(3,5-dimethylphenyl)-6-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
PubChem CID135655217
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC Name1'-(3,5-dimethylphenyl)-6-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
SMILESCc1cc(C)cc(-n2ncc3c2NC(=O)CC32C(=O)Nc3cc(F)ccc32)c1
InChIInChI=1S/C21H17FN4O2/c1-11-5-12(2)7-14(6-11)26-19-16(10-23-26)21(9-18(27)25-19)15-4-3-13(22)8-17(15)24-20(21)28/h3-8,10H,9H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyZIFGJTDAMMYCPV-UHFFFAOYSA-N
XLogP3.21
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1'-(3,5-dimethylphenyl)-7-methylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135940703
(3R)-1'-(2,5-dimethylphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135902480
(3S)-1'-(4-methoxyphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135950536
(3R)-7-chloro-1'-(3-fluorophenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135950814
1-(3,4-dimethylphenyl)-1'-ethyl-6'-fluorospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135654482
5-fluoro-1'-(6-methoxy-1,3-benzothiazol-2-yl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135655807
(3R)-5-chloro-1'-[4-(trifluoromethoxy)phenyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135953418
(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
(3S)-4-chloro-1'-(4-methoxyphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135950697
(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
(3S)-7-chloro-1'-phenylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135902236
(3R)-7-chloro-1'-phenylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135902237

Frequently Asked Questions

What is the IUPAC name of 1'-(3,5-dimethylphenyl)-6-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
The IUPAC name of 1'-(3,5-dimethylphenyl)-6-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione (CID 135655217) is 1'-(3,5-dimethylphenyl)-6-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione.
What is the SMILES notation for 1'-(3,5-dimethylphenyl)-6-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
The canonical SMILES for 1'-(3,5-dimethylphenyl)-6-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione is Cc1cc(C)cc(-n2ncc3c2NC(=O)CC32C(=O)Nc3cc(F)ccc32)c1.
What is the InChIKey of 1'-(3,5-dimethylphenyl)-6-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
The InChIKey is ZIFGJTDAMMYCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c1-11-5-12(2)7-14(6-11)26-19-16(10-23-26)21(9-18(27)25-19)15-4-3-13(22)8-17(15)24-20(21)28/h3-8,10H,9H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 1'-(3,5-dimethylphenyl)-6-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
1'-(3,5-dimethylphenyl)-6-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione has a molecular weight of 376.39 g/mol, XLogP of 3.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3,5-dimethylphenyl)-6-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione is sourced from PubChem (CID 135655217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).