2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-cyanophenyl)acetamide

C19H15N5OS — CID 3904691

IUPAC2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-cyanophenyl)acetamide
SMILESN#Cc1ccccc1NC(=O)CSC1=Nc2ccccc2C2CC=NN12
InChIInChI=1S/C19H15N5OS/c20-11-13-5-1-3-7-15(13)22-18(25)12-26-19-23-16-8-4-2-6-14(16)17-9-10-21-24(17)19/h1-8,10,17H,9,12H2,(H,22,25)
InChIKeyONVCBQXNEQCRAV-UHFFFAOYSA-N
MW361.43 g/mol
LogP3.66
Rot. Bonds3

About 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-cyanophenyl)acetamide

2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-cyanophenyl)acetamide (PubChem CID 3904691) has the molecular formula C19H15N5OS and a molecular weight of 361.43 g/mol. Its IUPAC name is 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-cyanophenyl)acetamide
PubChem CID3904691
Molecular FormulaC19H15N5OS
Molecular Weight361.43 g/mol
Exact Mass361.10
IUPAC Name2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-cyanophenyl)acetamide
SMILESN#Cc1ccccc1NC(=O)CSC1=Nc2ccccc2C2CC=NN12
InChIInChI=1S/C19H15N5OS/c20-11-13-5-1-3-7-15(13)22-18(25)12-26-19-23-16-8-4-2-6-14(16)17-9-10-21-24(17)19/h1-8,10,17H,9,12H2,(H,22,25)
InChIKeyONVCBQXNEQCRAV-UHFFFAOYSA-N
XLogP3.66
TPSA80.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-cyanophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-cyanophenyl)acetamide?
The IUPAC name of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-cyanophenyl)acetamide (CID 3904691) is 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-cyanophenyl)acetamide.
What is the SMILES notation for 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-cyanophenyl)acetamide?
The canonical SMILES for 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-cyanophenyl)acetamide is N#Cc1ccccc1NC(=O)CSC1=Nc2ccccc2C2CC=NN12.
What is the InChIKey of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-cyanophenyl)acetamide?
The InChIKey is ONVCBQXNEQCRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5OS/c20-11-13-5-1-3-7-15(13)22-18(25)12-26-19-23-16-8-4-2-6-14(16)17-9-10-21-24(17)19/h1-8,10,17H,9,12H2,(H,22,25).
What are the key properties of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-cyanophenyl)acetamide?
2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-cyanophenyl)acetamide has a molecular weight of 361.43 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-cyanophenyl)acetamide is sourced from PubChem (CID 3904691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).