2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide

C21H20N4OS — CID 4779775

IUPAC2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILESO=C(CSC1=Nc2ccccc2C2CC=NN12)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C21H20N4OS/c26-20(23-16-9-8-14-4-3-5-15(14)12-16)13-27-21-24-18-7-2-1-6-17(18)19-10-11-22-25(19)21/h1-2,6-9,11-12,19H,3-5,10,13H2,(H,23,26)
InChIKeyYZJGLSAZAIRBJP-UHFFFAOYSA-N
MW376.49 g/mol
LogP4.28
Rot. Bonds3

About 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide

2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide (PubChem CID 4779775) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide.

Molecular Properties

Compound Name2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
PubChem CID4779775
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC Name2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILESO=C(CSC1=Nc2ccccc2C2CC=NN12)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C21H20N4OS/c26-20(23-16-9-8-14-4-3-5-15(14)12-16)13-27-21-24-18-7-2-1-6-17(18)19-10-11-22-25(19)21/h1-2,6-9,11-12,19H,3-5,10,13H2,(H,23,26)
InChIKeyYZJGLSAZAIRBJP-UHFFFAOYSA-N
XLogP4.28
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The IUPAC name of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide (CID 4779775) is 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide.
What is the SMILES notation for 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The canonical SMILES for 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide is O=C(CSC1=Nc2ccccc2C2CC=NN12)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The InChIKey is YZJGLSAZAIRBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS/c26-20(23-16-9-8-14-4-3-5-15(14)12-16)13-27-21-24-18-7-2-1-6-17(18)19-10-11-22-25(19)21/h1-2,6-9,11-12,19H,3-5,10,13H2,(H,23,26).
What are the key properties of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide has a molecular weight of 376.49 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide is sourced from PubChem (CID 4779775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).