N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2-(2,3,6-trimethylphenoxy)acetamide

C26H25N5O2 — CID 108769465

IUPACN-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2-(2,3,6-trimethylphenoxy)acetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(C)c3n2)c1C
InChIInChI=1S/C26H25N5O2/c1-15-9-10-17(3)25(19(15)5)33-14-23(32)30-26-20(12-27)13-28-31(26)22-11-18(4)21-8-6-7-16(2)24(21)29-22/h6-11,13H,14H2,1-5H3,(H,30,32)
InChIKeyMVUCCGYLQYEVQH-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.85
Rot. Bonds5

About N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2-(2,3,6-trimethylphenoxy)acetamide

N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2-(2,3,6-trimethylphenoxy)acetamide (PubChem CID 108769465) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2-(2,3,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2-(2,3,6-trimethylphenoxy)acetamide
PubChem CID108769465
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC NameN-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2-(2,3,6-trimethylphenoxy)acetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(C)c3n2)c1C
InChIInChI=1S/C26H25N5O2/c1-15-9-10-17(3)25(19(15)5)33-14-23(32)30-26-20(12-27)13-28-31(26)22-11-18(4)21-8-6-7-16(2)24(21)29-22/h6-11,13H,14H2,1-5H3,(H,30,32)
InChIKeyMVUCCGYLQYEVQH-UHFFFAOYSA-N
XLogP4.85
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2-(2,3,6-trimethylphenoxy)acetamide with MolForge

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

Launch Full Analysis

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]-4-(4-methoxyphenoxy)butanamide
CID 108769476
2-(4-acetamidophenyl)-N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]acetamide
CID 108747345
N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-3-(4-ethylphenoxy)propanamide
CID 108747339
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-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2-methyl-3,5-dinitrobenzamide
CID 108747322
N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108747495
2-chloroethyl N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]carbamate
CID 108747474
1-(4,8-dimethylquinolin-2-yl)-5-[(6-phenylpyrimidin-4-yl)amino]pyrazole-4-carbonitrile
CID 108779201
N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-4-ethoxybenzenesulfonamide
CID 108784025
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 N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2-(2,3,6-trimethylphenoxy)acetamide?
The IUPAC name of N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2-(2,3,6-trimethylphenoxy)acetamide (CID 108769465) is N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2-(2,3,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2-(2,3,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2-(2,3,6-trimethylphenoxy)acetamide is Cc1ccc(C)c(OCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(C)c3n2)c1C.
What is the InChIKey of N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2-(2,3,6-trimethylphenoxy)acetamide?
The InChIKey is MVUCCGYLQYEVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-15-9-10-17(3)25(19(15)5)33-14-23(32)30-26-20(12-27)13-28-31(26)22-11-18(4)21-8-6-7-16(2)24(21)29-22/h6-11,13H,14H2,1-5H3,(H,30,32).
What are the key properties of N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2-(2,3,6-trimethylphenoxy)acetamide?
N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2-(2,3,6-trimethylphenoxy)acetamide has a molecular weight of 439.52 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2-(2,3,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 108769465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).