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

C21H18N4O2 — CID 135902480

IUPAC(3R)-1'-(2,5-dimethylphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
SMILESCc1ccc(C)c(-n2ncc3c2NC(=O)C[C@]32C(=O)Nc3ccccc32)c1
InChIInChI=1S/C21H18N4O2/c1-12-7-8-13(2)17(9-12)25-19-15(11-22-25)21(10-18(26)24-19)14-5-3-4-6-16(14)23-20(21)27/h3-9,11H,10H2,1-2H3,(H,23,27)(H,24,26)/t21-/m1/s1
InChIKeyDEPQBMQYXKOCPU-OAQYLSRUSA-N
MW358.40 g/mol
LogP3.07
Rot. Bonds1

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

(3R)-1'-(2,5-dimethylphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione (PubChem CID 135902480) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is (3R)-1'-(2,5-dimethylphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione.

Molecular Properties

Compound Name(3R)-1'-(2,5-dimethylphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
PubChem CID135902480
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name(3R)-1'-(2,5-dimethylphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
SMILESCc1ccc(C)c(-n2ncc3c2NC(=O)C[C@]32C(=O)Nc3ccccc32)c1
InChIInChI=1S/C21H18N4O2/c1-12-7-8-13(2)17(9-12)25-19-15(11-22-25)21(10-18(26)24-19)14-5-3-4-6-16(14)23-20(21)27/h3-9,11H,10H2,1-2H3,(H,23,27)(H,24,26)/t21-/m1/s1
InChIKeyDEPQBMQYXKOCPU-OAQYLSRUSA-N
XLogP3.07
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1'-(4-methoxyphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135950536
(3S)-7-chloro-1'-(2-methylphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135950726
1'-(3,5-dimethylphenyl)-6-fluorospiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135655217
5'-chloro-1-(2,4-dimethylphenyl)-1'-ethylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135654722
1-(3,4-dimethylphenyl)-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135654919
(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
(3S)-1'-tert-butyl-7-methylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135953608
(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'-chloro-1-(2-methylphenyl)-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135940776
2-[(4R)-1-(2,3-dimethylphenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
CID 135882834
(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

Frequently Asked Questions

What is the IUPAC name of (3R)-1'-(2,5-dimethylphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
The IUPAC name of (3R)-1'-(2,5-dimethylphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione (CID 135902480) is (3R)-1'-(2,5-dimethylphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione.
What is the SMILES notation for (3R)-1'-(2,5-dimethylphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
The canonical SMILES for (3R)-1'-(2,5-dimethylphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione is Cc1ccc(C)c(-n2ncc3c2NC(=O)C[C@]32C(=O)Nc3ccccc32)c1.
What is the InChIKey of (3R)-1'-(2,5-dimethylphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
The InChIKey is DEPQBMQYXKOCPU-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-12-7-8-13(2)17(9-12)25-19-15(11-22-25)21(10-18(26)24-19)14-5-3-4-6-16(14)23-20(21)27/h3-9,11H,10H2,1-2H3,(H,23,27)(H,24,26)/t21-/m1/s1.
What are the key properties of (3R)-1'-(2,5-dimethylphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
(3R)-1'-(2,5-dimethylphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione has a molecular weight of 358.40 g/mol, XLogP of 3.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1'-(2,5-dimethylphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione is sourced from PubChem (CID 135902480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).