N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(3-chloro-4-methylphenyl)methyl]pyrazole-4-carboxamide

C24H24ClN5O — CID 171089743

IUPACN-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(3-chloro-4-methylphenyl)methyl]pyrazole-4-carboxamide
SMILESCc1ccc(Cn2cc(C(=O)NCc3c(C)cc4c(N)nccc4c3C)cn2)cc1Cl
InChIInChI=1S/C24H24ClN5O/c1-14-4-5-17(9-22(14)25)12-30-13-18(10-29-30)24(31)28-11-21-15(2)8-20-19(16(21)3)6-7-27-23(20)26/h4-10,13H,11-12H2,1-3H3,(H2,26,27)(H,28,31)
InChIKeyXIBSATRRSRKENB-UHFFFAOYSA-N
MW433.94 g/mol
LogP4.57
Rot. Bonds5

About N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(3-chloro-4-methylphenyl)methyl]pyrazole-4-carboxamide

N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(3-chloro-4-methylphenyl)methyl]pyrazole-4-carboxamide (PubChem CID 171089743) has the molecular formula C24H24ClN5O and a molecular weight of 433.94 g/mol. Its IUPAC name is N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(3-chloro-4-methylphenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(3-chloro-4-methylphenyl)methyl]pyrazole-4-carboxamide
PubChem CID171089743
Molecular FormulaC24H24ClN5O
Molecular Weight433.94 g/mol
Exact Mass433.17
IUPAC NameN-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(3-chloro-4-methylphenyl)methyl]pyrazole-4-carboxamide
SMILESCc1ccc(Cn2cc(C(=O)NCc3c(C)cc4c(N)nccc4c3C)cn2)cc1Cl
InChIInChI=1S/C24H24ClN5O/c1-14-4-5-17(9-22(14)25)12-30-13-18(10-29-30)24(31)28-11-21-15(2)8-20-19(16(21)3)6-7-27-23(20)26/h4-10,13H,11-12H2,1-3H3,(H2,26,27)(H,28,31)
InChIKeyXIBSATRRSRKENB-UHFFFAOYSA-N
XLogP4.57
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-[[4-[1-(dimethylamino)-1-oxopropan-2-yl]phenyl]methyl]pyrazole-4-carboxamide
CID 171090252
N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(2-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 171089934
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-[(5-fluoro-1-benzofuran-2-yl)methyl]pyrazole-4-carboxamide
CID 171089600
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-[(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
N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-5-(aminomethyl)-1-benzylpyrazole-3-carboxamide
CID 171090309
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-[(1-aminoisoquinolin-6-yl)methyl]-1-[[4-[[(2,4-dimethyl-1,3-thiazol-5-yl)-methylamino]methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 135120931
N-[(6-amino-4-methyl-3-pyridinyl)methyl]-1-benzylpyrazole-4-carboxamide
CID 58081323

Frequently Asked Questions

What is the IUPAC name of N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(3-chloro-4-methylphenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(3-chloro-4-methylphenyl)methyl]pyrazole-4-carboxamide (CID 171089743) is N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(3-chloro-4-methylphenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(3-chloro-4-methylphenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(3-chloro-4-methylphenyl)methyl]pyrazole-4-carboxamide is Cc1ccc(Cn2cc(C(=O)NCc3c(C)cc4c(N)nccc4c3C)cn2)cc1Cl.
What is the InChIKey of N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(3-chloro-4-methylphenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is XIBSATRRSRKENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O/c1-14-4-5-17(9-22(14)25)12-30-13-18(10-29-30)24(31)28-11-21-15(2)8-20-19(16(21)3)6-7-27-23(20)26/h4-10,13H,11-12H2,1-3H3,(H2,26,27)(H,28,31).
What are the key properties of N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(3-chloro-4-methylphenyl)methyl]pyrazole-4-carboxamide?
N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(3-chloro-4-methylphenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 433.94 g/mol, XLogP of 4.57, 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-[(3-chloro-4-methylphenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 171089743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).