2-(1,3-dimethylpyrazol-4-yl)-N-[(1S)-1-(4-fluorophenyl)propyl]-N-methylquinoline-4-carboxamide

C25H25FN4O — CID 92626939

IUPAC2-(1,3-dimethylpyrazol-4-yl)-N-[(1S)-1-(4-fluorophenyl)propyl]-N-methylquinoline-4-carboxamide
SMILESCC[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cc(-c2cn(C)nc2C)nc2ccccc12
InChIInChI=1S/C25H25FN4O/c1-5-24(17-10-12-18(26)13-11-17)30(4)25(31)20-14-23(21-15-29(3)28-16(21)2)27-22-9-7-6-8-19(20)22/h6-15,24H,5H2,1-4H3/t24-/m0/s1
InChIKeyYTUYKRLQMMUMKX-DEOSSOPVSA-N
MW416.50 g/mol
LogP5.31
Rot. Bonds5

About 2-(1,3-dimethylpyrazol-4-yl)-N-[(1S)-1-(4-fluorophenyl)propyl]-N-methylquinoline-4-carboxamide

2-(1,3-dimethylpyrazol-4-yl)-N-[(1S)-1-(4-fluorophenyl)propyl]-N-methylquinoline-4-carboxamide (PubChem CID 92626939) has the molecular formula C25H25FN4O and a molecular weight of 416.50 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrazol-4-yl)-N-[(1S)-1-(4-fluorophenyl)propyl]-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(1,3-dimethylpyrazol-4-yl)-N-[(1S)-1-(4-fluorophenyl)propyl]-N-methylquinoline-4-carboxamide
PubChem CID92626939
Molecular FormulaC25H25FN4O
Molecular Weight416.50 g/mol
Exact Mass416.20
IUPAC Name2-(1,3-dimethylpyrazol-4-yl)-N-[(1S)-1-(4-fluorophenyl)propyl]-N-methylquinoline-4-carboxamide
SMILESCC[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cc(-c2cn(C)nc2C)nc2ccccc12
InChIInChI=1S/C25H25FN4O/c1-5-24(17-10-12-18(26)13-11-17)30(4)25(31)20-14-23(21-15-29(3)28-16(21)2)27-22-9-7-6-8-19(20)22/h6-15,24H,5H2,1-4H3/t24-/m0/s1
InChIKeyYTUYKRLQMMUMKX-DEOSSOPVSA-N
XLogP5.31
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.50
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1,3-dimethylpyrazol-4-yl)-N-[(1S)-1-(4-fluorophenyl)propyl]-N-methylquinoline-4-carboxamide 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-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19518878
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(1,3-dimethylpyrazol-4-yl)-N-methylquinoline-4-carboxamide
CID 19518821
N-[1-(4-fluorophenyl)propyl]-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide
CID 46977355
N-(4-acetamidophenyl)-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19511719
N-[1-(1-adamantyl)propyl]-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19584390
ethyl (E)-3-[[2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]but-2-enoate
CID 19511921
N-(2,6-dichlorophenyl)-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19511727
2-(1,3-dimethylpyrazol-4-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide
CID 92627008
2-(1,3-dimethylpyrazol-4-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carboxamide
CID 19511932
2-(1,3-dimethylpyrazol-4-yl)-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]quinoline-4-carboxamide
CID 19511903
2-(1,3-dimethylpyrazol-4-yl)-N-[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 19511939
dimethyl 5-[[2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 19511697

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-N-[(1S)-1-(4-fluorophenyl)propyl]-N-methylquinoline-4-carboxamide?
The IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-N-[(1S)-1-(4-fluorophenyl)propyl]-N-methylquinoline-4-carboxamide (CID 92626939) is 2-(1,3-dimethylpyrazol-4-yl)-N-[(1S)-1-(4-fluorophenyl)propyl]-N-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-(1,3-dimethylpyrazol-4-yl)-N-[(1S)-1-(4-fluorophenyl)propyl]-N-methylquinoline-4-carboxamide?
The canonical SMILES for 2-(1,3-dimethylpyrazol-4-yl)-N-[(1S)-1-(4-fluorophenyl)propyl]-N-methylquinoline-4-carboxamide is CC[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cc(-c2cn(C)nc2C)nc2ccccc12.
What is the InChIKey of 2-(1,3-dimethylpyrazol-4-yl)-N-[(1S)-1-(4-fluorophenyl)propyl]-N-methylquinoline-4-carboxamide?
The InChIKey is YTUYKRLQMMUMKX-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H25FN4O/c1-5-24(17-10-12-18(26)13-11-17)30(4)25(31)20-14-23(21-15-29(3)28-16(21)2)27-22-9-7-6-8-19(20)22/h6-15,24H,5H2,1-4H3/t24-/m0/s1.
What are the key properties of 2-(1,3-dimethylpyrazol-4-yl)-N-[(1S)-1-(4-fluorophenyl)propyl]-N-methylquinoline-4-carboxamide?
2-(1,3-dimethylpyrazol-4-yl)-N-[(1S)-1-(4-fluorophenyl)propyl]-N-methylquinoline-4-carboxamide has a molecular weight of 416.50 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylpyrazol-4-yl)-N-[(1S)-1-(4-fluorophenyl)propyl]-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 92626939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).