N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]butanamide

C25H26N8O — CID 108800834

IUPACN-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]butanamide
SMILESCc1cc(C)nc(NCCCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(C)c3n2)n1
InChIInChI=1S/C25H26N8O/c1-15-7-5-8-20-16(2)11-21(31-23(15)20)33-24(19(13-26)14-28-33)32-22(34)9-6-10-27-25-29-17(3)12-18(4)30-25/h5,7-8,11-12,14H,6,9-10H2,1-4H3,(H,32,34)(H,27,29,30)
InChIKeySKWZYQNTQJZBSN-UHFFFAOYSA-N
MW454.54 g/mol
LogP4.15
Rot. Bonds7

About N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]butanamide

N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]butanamide (PubChem CID 108800834) has the molecular formula C25H26N8O and a molecular weight of 454.54 g/mol. Its IUPAC name is N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]butanamide.

Molecular Properties

Compound NameN-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]butanamide
PubChem CID108800834
Molecular FormulaC25H26N8O
Molecular Weight454.54 g/mol
Exact Mass454.22
IUPAC NameN-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]butanamide
SMILESCc1cc(C)nc(NCCCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(C)c3n2)n1
InChIInChI=1S/C25H26N8O/c1-15-7-5-8-20-16(2)11-21(31-23(15)20)33-24(19(13-26)14-28-33)32-22(34)9-6-10-27-25-29-17(3)12-18(4)30-25/h5,7-8,11-12,14H,6,9-10H2,1-4H3,(H,32,34)(H,27,29,30)
InChIKeySKWZYQNTQJZBSN-UHFFFAOYSA-N
XLogP4.15
TPSA121.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.54
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]butanamide 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
N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108769465
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]-6-fluoro-2-methylquinoline-4-carboxamide
CID 108802597
N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108747495
N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 108769565
N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108797995
N'-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-N-(4-fluorophenyl)butanediamide
CID 108768998
N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 108768995
N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2-methyl-3,5-dinitrobenzamide
CID 108747322

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]butanamide?
The IUPAC name of N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]butanamide (CID 108800834) is N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]butanamide.
What is the SMILES notation for N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]butanamide?
The canonical SMILES for N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]butanamide is Cc1cc(C)nc(NCCCC(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(C)c3n2)n1.
What is the InChIKey of N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]butanamide?
The InChIKey is SKWZYQNTQJZBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O/c1-15-7-5-8-20-16(2)11-21(31-23(15)20)33-24(19(13-26)14-28-33)32-22(34)9-6-10-27-25-29-17(3)12-18(4)30-25/h5,7-8,11-12,14H,6,9-10H2,1-4H3,(H,32,34)(H,27,29,30).
What are the key properties of N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]butanamide?
N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]butanamide has a molecular weight of 454.54 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]butanamide is sourced from PubChem (CID 108800834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).