5-chloro-1',7'-bis[(4-chlorophenyl)methyl]spiro[1H-indole-3,4'-5H-pyrazolo[5,4-b]pyridine]-2,6'-dione

C27H19Cl3N4O2 — CID 123652132

IUPAC5-chloro-1',7'-bis[(4-chlorophenyl)methyl]spiro[1H-indole-3,4'-5H-pyrazolo[5,4-b]pyridine]-2,6'-dione
SMILESO=C1CC2(C(=O)Nc3ccc(Cl)cc32)c2cnn(Cc3ccc(Cl)cc3)c2N1Cc1ccc(Cl)cc1
InChIInChI=1S/C27H19Cl3N4O2/c28-18-5-1-16(2-6-18)14-33-24(35)12-27(21-11-20(30)9-10-23(21)32-26(27)36)22-13-31-34(25(22)33)15-17-3-7-19(29)8-4-17/h1-11,13H,12,14-15H2,(H,32,36)
InChIKeyLQVMUOJSEGPTFA-UHFFFAOYSA-N
MW537.83 g/mol
LogP6.07
Rot. Bonds4

About 5-chloro-1',7'-bis[(4-chlorophenyl)methyl]spiro[1H-indole-3,4'-5H-pyrazolo[5,4-b]pyridine]-2,6'-dione

5-chloro-1',7'-bis[(4-chlorophenyl)methyl]spiro[1H-indole-3,4'-5H-pyrazolo[5,4-b]pyridine]-2,6'-dione (PubChem CID 123652132) has the molecular formula C27H19Cl3N4O2 and a molecular weight of 537.83 g/mol. Its IUPAC name is 5-chloro-1',7'-bis[(4-chlorophenyl)methyl]spiro[1H-indole-3,4'-5H-pyrazolo[5,4-b]pyridine]-2,6'-dione.

Molecular Properties

Compound Name5-chloro-1',7'-bis[(4-chlorophenyl)methyl]spiro[1H-indole-3,4'-5H-pyrazolo[5,4-b]pyridine]-2,6'-dione
PubChem CID123652132
Molecular FormulaC27H19Cl3N4O2
Molecular Weight537.83 g/mol
Exact Mass536.06
IUPAC Name5-chloro-1',7'-bis[(4-chlorophenyl)methyl]spiro[1H-indole-3,4'-5H-pyrazolo[5,4-b]pyridine]-2,6'-dione
SMILESO=C1CC2(C(=O)Nc3ccc(Cl)cc32)c2cnn(Cc3ccc(Cl)cc3)c2N1Cc1ccc(Cl)cc1
InChIInChI=1S/C27H19Cl3N4O2/c28-18-5-1-16(2-6-18)14-33-24(35)12-27(21-11-20(30)9-10-23(21)32-26(27)36)22-13-31-34(25(22)33)15-17-3-7-19(29)8-4-17/h1-11,13H,12,14-15H2,(H,32,36)
InChIKeyLQVMUOJSEGPTFA-UHFFFAOYSA-N
XLogP6.07
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.83
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1',7'-bis[(4-chlorophenyl)methyl]spiro[1H-indole-3,4'-5H-pyrazolo[5,4-b]pyridine]-2,6'-dione?
The IUPAC name of 5-chloro-1',7'-bis[(4-chlorophenyl)methyl]spiro[1H-indole-3,4'-5H-pyrazolo[5,4-b]pyridine]-2,6'-dione (CID 123652132) is 5-chloro-1',7'-bis[(4-chlorophenyl)methyl]spiro[1H-indole-3,4'-5H-pyrazolo[5,4-b]pyridine]-2,6'-dione.
What is the SMILES notation for 5-chloro-1',7'-bis[(4-chlorophenyl)methyl]spiro[1H-indole-3,4'-5H-pyrazolo[5,4-b]pyridine]-2,6'-dione?
The canonical SMILES for 5-chloro-1',7'-bis[(4-chlorophenyl)methyl]spiro[1H-indole-3,4'-5H-pyrazolo[5,4-b]pyridine]-2,6'-dione is O=C1CC2(C(=O)Nc3ccc(Cl)cc32)c2cnn(Cc3ccc(Cl)cc3)c2N1Cc1ccc(Cl)cc1.
What is the InChIKey of 5-chloro-1',7'-bis[(4-chlorophenyl)methyl]spiro[1H-indole-3,4'-5H-pyrazolo[5,4-b]pyridine]-2,6'-dione?
The InChIKey is LQVMUOJSEGPTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19Cl3N4O2/c28-18-5-1-16(2-6-18)14-33-24(35)12-27(21-11-20(30)9-10-23(21)32-26(27)36)22-13-31-34(25(22)33)15-17-3-7-19(29)8-4-17/h1-11,13H,12,14-15H2,(H,32,36).
What are the key properties of 5-chloro-1',7'-bis[(4-chlorophenyl)methyl]spiro[1H-indole-3,4'-5H-pyrazolo[5,4-b]pyridine]-2,6'-dione?
5-chloro-1',7'-bis[(4-chlorophenyl)methyl]spiro[1H-indole-3,4'-5H-pyrazolo[5,4-b]pyridine]-2,6'-dione has a molecular weight of 537.83 g/mol, XLogP of 6.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1',7'-bis[(4-chlorophenyl)methyl]spiro[1H-indole-3,4'-5H-pyrazolo[5,4-b]pyridine]-2,6'-dione is sourced from PubChem (CID 123652132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).