2-(4-acetamidophenyl)-N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]acetamide

C25H22N6O2 — CID 108747345

IUPAC2-(4-acetamidophenyl)-N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(C)c3n2)cc1
InChIInChI=1S/C25H22N6O2/c1-15-5-4-6-21-16(2)11-22(29-24(15)21)31-25(19(13-26)14-27-31)30-23(33)12-18-7-9-20(10-8-18)28-17(3)32/h4-11,14H,12H2,1-3H3,(H,28,32)(H,30,33)
InChIKeyDPCCSNJIOBFZFU-UHFFFAOYSA-N
MW438.49 g/mol
LogP4.05
Rot. Bonds5

About 2-(4-acetamidophenyl)-N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]acetamide

2-(4-acetamidophenyl)-N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]acetamide (PubChem CID 108747345) has the molecular formula C25H22N6O2 and a molecular weight of 438.49 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]acetamide
PubChem CID108747345
Molecular FormulaC25H22N6O2
Molecular Weight438.49 g/mol
Exact Mass438.18
IUPAC Name2-(4-acetamidophenyl)-N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(C)c3n2)cc1
InChIInChI=1S/C25H22N6O2/c1-15-5-4-6-21-16(2)11-22(29-24(15)21)31-25(19(13-26)14-27-31)30-23(33)12-18-7-9-20(10-8-18)28-17(3)32/h4-11,14H,12H2,1-3H3,(H,28,32)(H,30,33)
InChIKeyDPCCSNJIOBFZFU-UHFFFAOYSA-N
XLogP4.05
TPSA112.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyano-N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]acetamide
CID 108769426
N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108769465
N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-3-(4-ethylphenoxy)propanamide
CID 108747339
2-(4-bromophenyl)-N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]acetamide
CID 108746813
2-(4-bromophenyl)-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]acetamide
CID 108747436
N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-4-(4-methoxyphenoxy)butanamide
CID 108769476
N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]butanamide
CID 108800834
N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108747482
N-[4-[[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]sulfamoyl]phenyl]acetamide
CID 108784040
N'-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-N-(4-fluorophenyl)butanediamide
CID 108768998
N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2-methyl-3,5-dinitrobenzamide
CID 108747322
N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-6-fluoro-2-methylquinoline-4-carboxamide
CID 108802597

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]acetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]acetamide (CID 108747345) is 2-(4-acetamidophenyl)-N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]acetamide is CC(=O)Nc1ccc(CC(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(C)c3n2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]acetamide?
The InChIKey is DPCCSNJIOBFZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2/c1-15-5-4-6-21-16(2)11-22(29-24(15)21)31-25(19(13-26)14-27-31)30-23(33)12-18-7-9-20(10-8-18)28-17(3)32/h4-11,14H,12H2,1-3H3,(H,28,32)(H,30,33).
What are the key properties of 2-(4-acetamidophenyl)-N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]acetamide?
2-(4-acetamidophenyl)-N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]acetamide has a molecular weight of 438.49 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]acetamide is sourced from PubChem (CID 108747345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).