2-oxo-1',6'-diphenyl-3'-thiophen-2-ylspiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile

C30H19N5OS — CID 171355275

IUPAC2-oxo-1',6'-diphenyl-3'-thiophen-2-ylspiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile
SMILESN#CC1=C(c2ccccc2)Nc2c(c(-c3cccs3)nn2-c2ccccc2)C12C(=O)Nc1ccccc12
InChIInChI=1S/C30H19N5OS/c31-18-22-26(19-10-3-1-4-11-19)33-28-25(30(22)21-14-7-8-15-23(21)32-29(30)36)27(24-16-9-17-37-24)34-35(28)20-12-5-2-6-13-20/h1-17,33H,(H,32,36)
InChIKeyFKLHNHWZSMKNEL-UHFFFAOYSA-N
MW497.58 g/mol
LogP6.20
Rot. Bonds3

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

2-oxo-1',6'-diphenyl-3'-thiophen-2-ylspiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile (PubChem CID 171355275) has the molecular formula C30H19N5OS and a molecular weight of 497.58 g/mol. Its IUPAC name is 2-oxo-1',6'-diphenyl-3'-thiophen-2-ylspiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile.

Molecular Properties

Compound Name2-oxo-1',6'-diphenyl-3'-thiophen-2-ylspiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile
PubChem CID171355275
Molecular FormulaC30H19N5OS
Molecular Weight497.58 g/mol
Exact Mass497.13
IUPAC Name2-oxo-1',6'-diphenyl-3'-thiophen-2-ylspiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile
SMILESN#CC1=C(c2ccccc2)Nc2c(c(-c3cccs3)nn2-c2ccccc2)C12C(=O)Nc1ccccc12
InChIInChI=1S/C30H19N5OS/c31-18-22-26(19-10-3-1-4-11-19)33-28-25(30(22)21-14-7-8-15-23(21)32-29(30)36)27(24-16-9-17-37-24)34-35(28)20-12-5-2-6-13-20/h1-17,33H,(H,32,36)
InChIKeyFKLHNHWZSMKNEL-UHFFFAOYSA-N
XLogP6.20
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.58
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1',6'-diphenyl-3'-thiophen-2-ylspiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile?
The IUPAC name of 2-oxo-1',6'-diphenyl-3'-thiophen-2-ylspiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile (CID 171355275) is 2-oxo-1',6'-diphenyl-3'-thiophen-2-ylspiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile.
What is the SMILES notation for 2-oxo-1',6'-diphenyl-3'-thiophen-2-ylspiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile?
The canonical SMILES for 2-oxo-1',6'-diphenyl-3'-thiophen-2-ylspiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile is N#CC1=C(c2ccccc2)Nc2c(c(-c3cccs3)nn2-c2ccccc2)C12C(=O)Nc1ccccc12.
What is the InChIKey of 2-oxo-1',6'-diphenyl-3'-thiophen-2-ylspiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile?
The InChIKey is FKLHNHWZSMKNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N5OS/c31-18-22-26(19-10-3-1-4-11-19)33-28-25(30(22)21-14-7-8-15-23(21)32-29(30)36)27(24-16-9-17-37-24)34-35(28)20-12-5-2-6-13-20/h1-17,33H,(H,32,36).
What are the key properties of 2-oxo-1',6'-diphenyl-3'-thiophen-2-ylspiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile?
2-oxo-1',6'-diphenyl-3'-thiophen-2-ylspiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile has a molecular weight of 497.58 g/mol, XLogP of 6.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1',6'-diphenyl-3'-thiophen-2-ylspiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile is sourced from PubChem (CID 171355275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).