2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide

C23H23N5OS — CID 4876964

IUPAC2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(N(CCC#N)C(=O)CSC2=Nc3ccccc3C3CC=NN23)c1
InChIInChI=1S/C23H23N5OS/c1-16-12-17(2)14-18(13-16)27(11-5-9-24)22(29)15-30-23-26-20-7-4-3-6-19(20)21-8-10-25-28(21)23/h3-4,6-7,10,12-14,21H,5,8,11,15H2,1-2H3
InChIKeyPJGNSEJCLPAHHT-UHFFFAOYSA-N
MW417.54 g/mol
LogP4.72
Rot. Bonds5

About 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide

2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide (PubChem CID 4876964) has the molecular formula C23H23N5OS and a molecular weight of 417.54 g/mol. Its IUPAC name is 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide
PubChem CID4876964
Molecular FormulaC23H23N5OS
Molecular Weight417.54 g/mol
Exact Mass417.16
IUPAC Name2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(N(CCC#N)C(=O)CSC2=Nc3ccccc3C3CC=NN23)c1
InChIInChI=1S/C23H23N5OS/c1-16-12-17(2)14-18(13-16)27(11-5-9-24)22(29)15-30-23-26-20-7-4-3-6-19(20)21-8-10-25-28(21)23/h3-4,6-7,10,12-14,21H,5,8,11,15H2,1-2H3
InChIKeyPJGNSEJCLPAHHT-UHFFFAOYSA-N
XLogP4.72
TPSA72.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)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-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide (CID 4876964) is 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide is Cc1cc(C)cc(N(CCC#N)C(=O)CSC2=Nc3ccccc3C3CC=NN23)c1.
What is the InChIKey of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is PJGNSEJCLPAHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5OS/c1-16-12-17(2)14-18(13-16)27(11-5-9-24)22(29)15-30-23-26-20-7-4-3-6-19(20)21-8-10-25-28(21)23/h3-4,6-7,10,12-14,21H,5,8,11,15H2,1-2H3.
What are the key properties of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide?
2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 417.54 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 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-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 4876964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).