(4S)-1-tert-butyl-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione

C21H26N4O2 — CID 135953590

IUPAC(4S)-1-tert-butyl-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
SMILESCC(C)CN1C(=O)[C@@]2(CC(=O)Nc3c2cnn3C(C)(C)C)c2ccccc21
InChIInChI=1S/C21H26N4O2/c1-13(2)12-24-16-9-7-6-8-14(16)21(19(24)27)10-17(26)23-18-15(21)11-22-25(18)20(3,4)5/h6-9,11,13H,10,12H2,1-5H3,(H,23,26)/t21-/m0/s1
InChIKeyOFAUMQZCUNZTCA-NRFANRHFSA-N
MW366.47 g/mol
LogP3.27
Rot. Bonds2

About (4S)-1-tert-butyl-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione

(4S)-1-tert-butyl-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione (PubChem CID 135953590) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is (4S)-1-tert-butyl-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.

Molecular Properties

Compound Name(4S)-1-tert-butyl-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
PubChem CID135953590
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name(4S)-1-tert-butyl-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
SMILESCC(C)CN1C(=O)[C@@]2(CC(=O)Nc3c2cnn3C(C)(C)C)c2ccccc21
InChIInChI=1S/C21H26N4O2/c1-13(2)12-24-16-9-7-6-8-14(16)21(19(24)27)10-17(26)23-18-15(21)11-22-25(18)20(3,4)5/h6-9,11,13H,10,12H2,1-5H3,(H,23,26)/t21-/m0/s1
InChIKeyOFAUMQZCUNZTCA-NRFANRHFSA-N
XLogP3.27
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4R)-1-tert-butyl-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
CID 135882908
(4S)-1'-(2-methylpropyl)-1-phenylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135902670
1-(3,4-dimethylphenyl)-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135654919
(4R)-1-(4-methoxyphenyl)-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135940862
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)-7'-chloro-1'-(2-methylpropyl)-1-phenylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135953596
(3S)-1'-tert-butyl-7-methylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135953608
1-(2-chlorophenyl)-1'-propylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135654543
2-[1-(2-ethylphenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
CID 135654541
2-[(4R)-1-(2,3-dimethylphenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
CID 135882834
2-[(4R)-1-(2-chlorophenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
CID 135902197
1'-ethyl-1-[4-(trifluoromethoxy)phenyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135655611

Frequently Asked Questions

What is the IUPAC name of (4S)-1-tert-butyl-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The IUPAC name of (4S)-1-tert-butyl-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione (CID 135953590) is (4S)-1-tert-butyl-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.
What is the SMILES notation for (4S)-1-tert-butyl-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The canonical SMILES for (4S)-1-tert-butyl-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione is CC(C)CN1C(=O)[C@@]2(CC(=O)Nc3c2cnn3C(C)(C)C)c2ccccc21.
What is the InChIKey of (4S)-1-tert-butyl-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The InChIKey is OFAUMQZCUNZTCA-NRFANRHFSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-13(2)12-24-16-9-7-6-8-14(16)21(19(24)27)10-17(26)23-18-15(21)11-22-25(18)20(3,4)5/h6-9,11,13H,10,12H2,1-5H3,(H,23,26)/t21-/m0/s1.
What are the key properties of (4S)-1-tert-butyl-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
(4S)-1-tert-butyl-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione has a molecular weight of 366.47 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-tert-butyl-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione is sourced from PubChem (CID 135953590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).