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

C20H16Cl2N4O — CID 136934948

IUPAC5-chloro-1'-[(4-chlorophenyl)methyl]spiro[1H-indole-3,4'-6,7-dihydro-5H-pyrazolo[5,4-b]pyridine]-2-one
SMILESO=C1Nc2ccc(Cl)cc2C12CCNc1c2cnn1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H16Cl2N4O/c21-13-3-1-12(2-4-13)11-26-18-16(10-24-26)20(7-8-23-18)15-9-14(22)5-6-17(15)25-19(20)27/h1-6,9-10,23H,7-8,11H2,(H,25,27)
InChIKeyBQRJJVQLEUNMNS-UHFFFAOYSA-N
MW399.28 g/mol
LogP4.29
Rot. Bonds2

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

5-chloro-1'-[(4-chlorophenyl)methyl]spiro[1H-indole-3,4'-6,7-dihydro-5H-pyrazolo[5,4-b]pyridine]-2-one (PubChem CID 136934948) has the molecular formula C20H16Cl2N4O and a molecular weight of 399.28 g/mol. Its IUPAC name is 5-chloro-1'-[(4-chlorophenyl)methyl]spiro[1H-indole-3,4'-6,7-dihydro-5H-pyrazolo[5,4-b]pyridine]-2-one.

Molecular Properties

Compound Name5-chloro-1'-[(4-chlorophenyl)methyl]spiro[1H-indole-3,4'-6,7-dihydro-5H-pyrazolo[5,4-b]pyridine]-2-one
PubChem CID136934948
Molecular FormulaC20H16Cl2N4O
Molecular Weight399.28 g/mol
Exact Mass398.07
IUPAC Name5-chloro-1'-[(4-chlorophenyl)methyl]spiro[1H-indole-3,4'-6,7-dihydro-5H-pyrazolo[5,4-b]pyridine]-2-one
SMILESO=C1Nc2ccc(Cl)cc2C12CCNc1c2cnn1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H16Cl2N4O/c21-13-3-1-12(2-4-13)11-26-18-16(10-24-26)20(7-8-23-18)15-9-14(22)5-6-17(15)25-19(20)27/h1-6,9-10,23H,7-8,11H2,(H,25,27)
InChIKeyBQRJJVQLEUNMNS-UHFFFAOYSA-N
XLogP4.29
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.28
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1'-[(4-chlorophenyl)methyl]spiro[1H-indole-3,4'-6,7-dihydro-5H-pyrazolo[5,4-b]pyridine]-2-one?
The IUPAC name of 5-chloro-1'-[(4-chlorophenyl)methyl]spiro[1H-indole-3,4'-6,7-dihydro-5H-pyrazolo[5,4-b]pyridine]-2-one (CID 136934948) is 5-chloro-1'-[(4-chlorophenyl)methyl]spiro[1H-indole-3,4'-6,7-dihydro-5H-pyrazolo[5,4-b]pyridine]-2-one.
What is the SMILES notation for 5-chloro-1'-[(4-chlorophenyl)methyl]spiro[1H-indole-3,4'-6,7-dihydro-5H-pyrazolo[5,4-b]pyridine]-2-one?
The canonical SMILES for 5-chloro-1'-[(4-chlorophenyl)methyl]spiro[1H-indole-3,4'-6,7-dihydro-5H-pyrazolo[5,4-b]pyridine]-2-one is O=C1Nc2ccc(Cl)cc2C12CCNc1c2cnn1Cc1ccc(Cl)cc1.
What is the InChIKey of 5-chloro-1'-[(4-chlorophenyl)methyl]spiro[1H-indole-3,4'-6,7-dihydro-5H-pyrazolo[5,4-b]pyridine]-2-one?
The InChIKey is BQRJJVQLEUNMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N4O/c21-13-3-1-12(2-4-13)11-26-18-16(10-24-26)20(7-8-23-18)15-9-14(22)5-6-17(15)25-19(20)27/h1-6,9-10,23H,7-8,11H2,(H,25,27).
What are the key properties of 5-chloro-1'-[(4-chlorophenyl)methyl]spiro[1H-indole-3,4'-6,7-dihydro-5H-pyrazolo[5,4-b]pyridine]-2-one?
5-chloro-1'-[(4-chlorophenyl)methyl]spiro[1H-indole-3,4'-6,7-dihydro-5H-pyrazolo[5,4-b]pyridine]-2-one has a molecular weight of 399.28 g/mol, XLogP of 4.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1'-[(4-chlorophenyl)methyl]spiro[1H-indole-3,4'-6,7-dihydro-5H-pyrazolo[5,4-b]pyridine]-2-one is sourced from PubChem (CID 136934948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).