N'-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-N-(4-fluorophenyl)butanediamide

C26H23FN6O2 — CID 108768998

IUPACN'-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-N-(4-fluorophenyl)butanediamide
SMILESCc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)CCC(=O)Nc3ccc(F)cc3)cc(C)c2c1
InChIInChI=1S/C26H23FN6O2/c1-15-10-17(3)25-21(11-15)16(2)12-22(31-25)33-26(18(13-28)14-29-33)32-24(35)9-8-23(34)30-20-6-4-19(27)5-7-20/h4-7,10-12,14H,8-9H2,1-3H3,(H,30,34)(H,32,35)
InChIKeyOIZSWDALTRQCJZ-UHFFFAOYSA-N
MW470.51 g/mol
LogP4.71
Rot. Bonds6

About N'-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-N-(4-fluorophenyl)butanediamide

N'-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-N-(4-fluorophenyl)butanediamide (PubChem CID 108768998) has the molecular formula C26H23FN6O2 and a molecular weight of 470.51 g/mol. Its IUPAC name is N'-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-N-(4-fluorophenyl)butanediamide.

Molecular Properties

Compound NameN'-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-N-(4-fluorophenyl)butanediamide
PubChem CID108768998
Molecular FormulaC26H23FN6O2
Molecular Weight470.51 g/mol
Exact Mass470.19
IUPAC NameN'-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-N-(4-fluorophenyl)butanediamide
SMILESCc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)CCC(=O)Nc3ccc(F)cc3)cc(C)c2c1
InChIInChI=1S/C26H23FN6O2/c1-15-10-17(3)25-21(11-15)16(2)12-22(31-25)33-26(18(13-28)14-29-33)32-24(35)9-8-23(34)30-20-6-4-19(27)5-7-20/h4-7,10-12,14H,8-9H2,1-3H3,(H,30,34)(H,32,35)
InChIKeyOIZSWDALTRQCJZ-UHFFFAOYSA-N
XLogP4.71
TPSA112.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N'-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-N-(4-fluorophenyl)butanediamide with MolForge

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Related Compounds

N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 108746806
N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108746795
2-(4-bromophenyl)-N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]acetamide
CID 108746813
N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 108768995
3-[butyl(methyl)amino]-N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]propanamide
CID 108746807
3-(4-chlorophenoxy)-N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]propanamide
CID 108746786
2-(4-acetamidophenyl)-N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]acetamide
CID 108747345
2-cyano-N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]acetamide
CID 108769426
N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108747495
N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-1,3-benzoxazole-5-carboxamide
CID 108806804
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

Frequently Asked Questions

What is the IUPAC name of N'-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-N-(4-fluorophenyl)butanediamide?
The IUPAC name of N'-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-N-(4-fluorophenyl)butanediamide (CID 108768998) is N'-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-N-(4-fluorophenyl)butanediamide.
What is the SMILES notation for N'-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-N-(4-fluorophenyl)butanediamide?
The canonical SMILES for N'-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-N-(4-fluorophenyl)butanediamide is Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)CCC(=O)Nc3ccc(F)cc3)cc(C)c2c1.
What is the InChIKey of N'-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-N-(4-fluorophenyl)butanediamide?
The InChIKey is OIZSWDALTRQCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O2/c1-15-10-17(3)25-21(11-15)16(2)12-22(31-25)33-26(18(13-28)14-29-33)32-24(35)9-8-23(34)30-20-6-4-19(27)5-7-20/h4-7,10-12,14H,8-9H2,1-3H3,(H,30,34)(H,32,35).
What are the key properties of N'-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-N-(4-fluorophenyl)butanediamide?
N'-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-N-(4-fluorophenyl)butanediamide has a molecular weight of 470.51 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-N-(4-fluorophenyl)butanediamide is sourced from PubChem (CID 108768998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).