N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(2-fluorophenyl)methyl]pyrazole-4-carboxamide

C23H22FN5O — CID 171089934

IUPACN-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(2-fluorophenyl)methyl]pyrazole-4-carboxamide
SMILESCc1cc2c(N)nccc2c(C)c1CNC(=O)c1cnn(Cc2ccccc2F)c1
InChIInChI=1S/C23H22FN5O/c1-14-9-19-18(7-8-26-22(19)25)15(2)20(14)11-27-23(30)17-10-28-29(13-17)12-16-5-3-4-6-21(16)24/h3-10,13H,11-12H2,1-2H3,(H2,25,26)(H,27,30)
InChIKeyYDOFKTIGAJODRW-UHFFFAOYSA-N
MW403.46 g/mol
LogP3.75
Rot. Bonds5

About N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(2-fluorophenyl)methyl]pyrazole-4-carboxamide

N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(2-fluorophenyl)methyl]pyrazole-4-carboxamide (PubChem CID 171089934) has the molecular formula C23H22FN5O and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(2-fluorophenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(2-fluorophenyl)methyl]pyrazole-4-carboxamide
PubChem CID171089934
Molecular FormulaC23H22FN5O
Molecular Weight403.46 g/mol
Exact Mass403.18
IUPAC NameN-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(2-fluorophenyl)methyl]pyrazole-4-carboxamide
SMILESCc1cc2c(N)nccc2c(C)c1CNC(=O)c1cnn(Cc2ccccc2F)c1
InChIInChI=1S/C23H22FN5O/c1-14-9-19-18(7-8-26-22(19)25)15(2)20(14)11-27-23(30)17-10-28-29(13-17)12-16-5-3-4-6-21(16)24/h3-10,13H,11-12H2,1-2H3,(H2,25,26)(H,27,30)
InChIKeyYDOFKTIGAJODRW-UHFFFAOYSA-N
XLogP3.75
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(2-fluorophenyl)methyl]pyrazole-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

N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[[4-[2-(benzylamino)-2-oxoethyl]phenyl]methyl]pyrazole-4-carboxamide
CID 171089908
N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(5-fluoro-1-benzofuran-2-yl)methyl]pyrazole-4-carboxamide
CID 171089600
N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(3-chloro-4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 171089743
N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(5-ethylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
CID 171090308
N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(6-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
CID 171090532
N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(7-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
CID 171089667
N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(6-cyclopropyl-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
CID 171090434
1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[[5,7-dimethyl-1-(methylamino)isoquinolin-6-yl]methyl]pyrazole-4-carboxamide;ethane
CID 171090392
N-[(6-amino-4-methyl-3-pyridinyl)methyl]-1-benzylpyrazole-4-carboxamide
CID 58081323
3-amino-5-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzamide
CID 60862693
6-amino-5-chloro-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 55043681
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide
CID 19399960

Frequently Asked Questions

What is the IUPAC name of N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(2-fluorophenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(2-fluorophenyl)methyl]pyrazole-4-carboxamide (CID 171089934) is N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(2-fluorophenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(2-fluorophenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(2-fluorophenyl)methyl]pyrazole-4-carboxamide is Cc1cc2c(N)nccc2c(C)c1CNC(=O)c1cnn(Cc2ccccc2F)c1.
What is the InChIKey of N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(2-fluorophenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is YDOFKTIGAJODRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O/c1-14-9-19-18(7-8-26-22(19)25)15(2)20(14)11-27-23(30)17-10-28-29(13-17)12-16-5-3-4-6-21(16)24/h3-10,13H,11-12H2,1-2H3,(H2,25,26)(H,27,30).
What are the key properties of N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(2-fluorophenyl)methyl]pyrazole-4-carboxamide?
N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(2-fluorophenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 403.46 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(2-fluorophenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 171089934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).