(4S)-1'-[(4-methylphenyl)methyl]spiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione

C21H18N4O2 — CID 135950497

IUPAC(4S)-1'-[(4-methylphenyl)methyl]spiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
SMILESCc1ccc(CN2C(=O)[C@@]3(CC(=O)Nc4[nH]ncc43)c3ccccc32)cc1
InChIInChI=1S/C21H18N4O2/c1-13-6-8-14(9-7-13)12-25-17-5-3-2-4-15(17)21(20(25)27)10-18(26)23-19-16(21)11-22-24-19/h2-9,11H,10,12H2,1H3,(H2,22,23,24,26)/t21-/m0/s1
InChIKeyULEIFOXOQVGIFQ-NRFANRHFSA-N
MW358.40 g/mol
LogP2.89
Rot. Bonds2

About (4S)-1'-[(4-methylphenyl)methyl]spiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione

(4S)-1'-[(4-methylphenyl)methyl]spiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione (PubChem CID 135950497) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is (4S)-1'-[(4-methylphenyl)methyl]spiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.

Molecular Properties

Compound Name(4S)-1'-[(4-methylphenyl)methyl]spiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
PubChem CID135950497
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name(4S)-1'-[(4-methylphenyl)methyl]spiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
SMILESCc1ccc(CN2C(=O)[C@@]3(CC(=O)Nc4[nH]ncc43)c3ccccc32)cc1
InChIInChI=1S/C21H18N4O2/c1-13-6-8-14(9-7-13)12-25-17-5-3-2-4-15(17)21(20(25)27)10-18(26)23-19-16(21)11-22-24-19/h2-9,11H,10,12H2,1H3,(H2,22,23,24,26)/t21-/m0/s1
InChIKeyULEIFOXOQVGIFQ-NRFANRHFSA-N
XLogP2.89
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-1'-[(4-methylphenyl)methyl]spiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The IUPAC name of (4S)-1'-[(4-methylphenyl)methyl]spiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione (CID 135950497) is (4S)-1'-[(4-methylphenyl)methyl]spiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.
What is the SMILES notation for (4S)-1'-[(4-methylphenyl)methyl]spiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The canonical SMILES for (4S)-1'-[(4-methylphenyl)methyl]spiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione is Cc1ccc(CN2C(=O)[C@@]3(CC(=O)Nc4[nH]ncc43)c3ccccc32)cc1.
What is the InChIKey of (4S)-1'-[(4-methylphenyl)methyl]spiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The InChIKey is ULEIFOXOQVGIFQ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-13-6-8-14(9-7-13)12-25-17-5-3-2-4-15(17)21(20(25)27)10-18(26)23-19-16(21)11-22-24-19/h2-9,11H,10,12H2,1H3,(H2,22,23,24,26)/t21-/m0/s1.
What are the key properties of (4S)-1'-[(4-methylphenyl)methyl]spiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
(4S)-1'-[(4-methylphenyl)methyl]spiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione has a molecular weight of 358.40 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1'-[(4-methylphenyl)methyl]spiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione is sourced from PubChem (CID 135950497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).