5-methoxy-2-oxo-1',3',6'-triphenylspiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile

C33H23N5O2 — CID 155809018

IUPAC5-methoxy-2-oxo-1',3',6'-triphenylspiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile
SMILESCOc1ccc2c(c1)C1(C(=O)N2)C(C#N)=C(c2ccccc2)Nc2c1c(-c1ccccc1)nn2-c1ccccc1
InChIInChI=1S/C33H23N5O2/c1-40-24-17-18-27-25(19-24)33(32(39)35-27)26(20-34)29(21-11-5-2-6-12-21)36-31-28(33)30(22-13-7-3-8-14-22)37-38(31)23-15-9-4-10-16-23/h2-19,36H,1H3,(H,35,39)
InChIKeySZAMGADMOOZSKD-UHFFFAOYSA-N
MW521.58 g/mol
LogP6.15
Rot. Bonds4

About 5-methoxy-2-oxo-1',3',6'-triphenylspiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile

5-methoxy-2-oxo-1',3',6'-triphenylspiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile (PubChem CID 155809018) has the molecular formula C33H23N5O2 and a molecular weight of 521.58 g/mol. Its IUPAC name is 5-methoxy-2-oxo-1',3',6'-triphenylspiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile.

Molecular Properties

Compound Name5-methoxy-2-oxo-1',3',6'-triphenylspiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile
PubChem CID155809018
Molecular FormulaC33H23N5O2
Molecular Weight521.58 g/mol
Exact Mass521.19
IUPAC Name5-methoxy-2-oxo-1',3',6'-triphenylspiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile
SMILESCOc1ccc2c(c1)C1(C(=O)N2)C(C#N)=C(c2ccccc2)Nc2c1c(-c1ccccc1)nn2-c1ccccc1
InChIInChI=1S/C33H23N5O2/c1-40-24-17-18-27-25(19-24)33(32(39)35-27)26(20-34)29(21-11-5-2-6-12-21)36-31-28(33)30(22-13-7-3-8-14-22)37-38(31)23-15-9-4-10-16-23/h2-19,36H,1H3,(H,35,39)
InChIKeySZAMGADMOOZSKD-UHFFFAOYSA-N
XLogP6.15
TPSA91.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.58
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-oxo-1',3',6'-triphenylspiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile?
The IUPAC name of 5-methoxy-2-oxo-1',3',6'-triphenylspiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile (CID 155809018) is 5-methoxy-2-oxo-1',3',6'-triphenylspiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile.
What is the SMILES notation for 5-methoxy-2-oxo-1',3',6'-triphenylspiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile?
The canonical SMILES for 5-methoxy-2-oxo-1',3',6'-triphenylspiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile is COc1ccc2c(c1)C1(C(=O)N2)C(C#N)=C(c2ccccc2)Nc2c1c(-c1ccccc1)nn2-c1ccccc1.
What is the InChIKey of 5-methoxy-2-oxo-1',3',6'-triphenylspiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile?
The InChIKey is SZAMGADMOOZSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N5O2/c1-40-24-17-18-27-25(19-24)33(32(39)35-27)26(20-34)29(21-11-5-2-6-12-21)36-31-28(33)30(22-13-7-3-8-14-22)37-38(31)23-15-9-4-10-16-23/h2-19,36H,1H3,(H,35,39).
What are the key properties of 5-methoxy-2-oxo-1',3',6'-triphenylspiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile?
5-methoxy-2-oxo-1',3',6'-triphenylspiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile has a molecular weight of 521.58 g/mol, XLogP of 6.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-oxo-1',3',6'-triphenylspiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile is sourced from PubChem (CID 155809018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).