1'-ethyl-1-[4-(trifluoromethoxy)phenyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione

C22H17F3N4O3 — CID 135655611

IUPAC1'-ethyl-1-[4-(trifluoromethoxy)phenyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
SMILESCCN1C(=O)C2(CC(=O)Nc3c2cnn3-c2ccc(OC(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C22H17F3N4O3/c1-2-28-17-6-4-3-5-15(17)21(20(28)31)11-18(30)27-19-16(21)12-26-29(19)13-7-9-14(10-8-13)32-22(23,24)25/h3-10,12H,2,11H2,1H3,(H,27,30)
InChIKeyCGAPOAOQUXDASW-UHFFFAOYSA-N
MW442.40 g/mol
LogP3.77
Rot. Bonds3

About 1'-ethyl-1-[4-(trifluoromethoxy)phenyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione

1'-ethyl-1-[4-(trifluoromethoxy)phenyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione (PubChem CID 135655611) has the molecular formula C22H17F3N4O3 and a molecular weight of 442.40 g/mol. Its IUPAC name is 1'-ethyl-1-[4-(trifluoromethoxy)phenyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.

Molecular Properties

Compound Name1'-ethyl-1-[4-(trifluoromethoxy)phenyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
PubChem CID135655611
Molecular FormulaC22H17F3N4O3
Molecular Weight442.40 g/mol
Exact Mass442.13
IUPAC Name1'-ethyl-1-[4-(trifluoromethoxy)phenyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
SMILESCCN1C(=O)C2(CC(=O)Nc3c2cnn3-c2ccc(OC(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C22H17F3N4O3/c1-2-28-17-6-4-3-5-15(17)21(20(28)31)11-18(30)27-19-16(21)12-26-29(19)13-7-9-14(10-8-13)32-22(23,24)25/h3-10,12H,2,11H2,1H3,(H,27,30)
InChIKeyCGAPOAOQUXDASW-UHFFFAOYSA-N
XLogP3.77
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-ethyl-1-[4-(trifluoromethoxy)phenyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The IUPAC name of 1'-ethyl-1-[4-(trifluoromethoxy)phenyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione (CID 135655611) is 1'-ethyl-1-[4-(trifluoromethoxy)phenyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.
What is the SMILES notation for 1'-ethyl-1-[4-(trifluoromethoxy)phenyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The canonical SMILES for 1'-ethyl-1-[4-(trifluoromethoxy)phenyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione is CCN1C(=O)C2(CC(=O)Nc3c2cnn3-c2ccc(OC(F)(F)F)cc2)c2ccccc21.
What is the InChIKey of 1'-ethyl-1-[4-(trifluoromethoxy)phenyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The InChIKey is CGAPOAOQUXDASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O3/c1-2-28-17-6-4-3-5-15(17)21(20(28)31)11-18(30)27-19-16(21)12-26-29(19)13-7-9-14(10-8-13)32-22(23,24)25/h3-10,12H,2,11H2,1H3,(H,27,30).
What are the key properties of 1'-ethyl-1-[4-(trifluoromethoxy)phenyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
1'-ethyl-1-[4-(trifluoromethoxy)phenyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione has a molecular weight of 442.40 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethyl-1-[4-(trifluoromethoxy)phenyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione is sourced from PubChem (CID 135655611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).