N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-5-(aminomethyl)-1-benzylpyrazole-3-carboxamide

C24H26N6O — CID 171090309

IUPACN-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-5-(aminomethyl)-1-benzylpyrazole-3-carboxamide
SMILESCc1cc2c(N)nccc2c(C)c1CNC(=O)c1cc(CN)n(Cc2ccccc2)n1
InChIInChI=1S/C24H26N6O/c1-15-10-20-19(8-9-27-23(20)26)16(2)21(15)13-28-24(31)22-11-18(12-25)30(29-22)14-17-6-4-3-5-7-17/h3-11H,12-14,25H2,1-2H3,(H2,26,27)(H,28,31)
InChIKeyYYOSIKJWXUWXHH-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.07
Rot. Bonds6

About N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-5-(aminomethyl)-1-benzylpyrazole-3-carboxamide

N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-5-(aminomethyl)-1-benzylpyrazole-3-carboxamide (PubChem CID 171090309) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-5-(aminomethyl)-1-benzylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-5-(aminomethyl)-1-benzylpyrazole-3-carboxamide
PubChem CID171090309
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC NameN-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-5-(aminomethyl)-1-benzylpyrazole-3-carboxamide
SMILESCc1cc2c(N)nccc2c(C)c1CNC(=O)c1cc(CN)n(Cc2ccccc2)n1
InChIInChI=1S/C24H26N6O/c1-15-10-20-19(8-9-27-23(20)26)16(2)21(15)13-28-24(31)22-11-18(12-25)30(29-22)14-17-6-4-3-5-7-17/h3-11H,12-14,25H2,1-2H3,(H2,26,27)(H,28,31)
InChIKeyYYOSIKJWXUWXHH-UHFFFAOYSA-N
XLogP3.07
TPSA111.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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-[(3-chloro-4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 171089743
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-[[4-[1-(dimethylamino)-1-oxopropan-2-yl]phenyl]methyl]pyrazole-4-carboxamide
CID 171090252
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-chloropyridine-4-carboxamide
CID 34306724
(E)-3-amino-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-2-[(3-chlorophenyl)methyliminomethyl]prop-2-enamide
CID 171090500
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
2-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide;hydrochloride
CID 119273855
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)acetamide
CID 8944173
N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(5-fluoro-1-benzofuran-2-yl)methyl]pyrazole-4-carboxamide
CID 171089600
1-benzyl-5-methylpyrazole-3-carbohydrazide
CID 26597167

Frequently Asked Questions

What is the IUPAC name of N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-5-(aminomethyl)-1-benzylpyrazole-3-carboxamide?
The IUPAC name of N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-5-(aminomethyl)-1-benzylpyrazole-3-carboxamide (CID 171090309) is N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-5-(aminomethyl)-1-benzylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-5-(aminomethyl)-1-benzylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-5-(aminomethyl)-1-benzylpyrazole-3-carboxamide is Cc1cc2c(N)nccc2c(C)c1CNC(=O)c1cc(CN)n(Cc2ccccc2)n1.
What is the InChIKey of N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-5-(aminomethyl)-1-benzylpyrazole-3-carboxamide?
The InChIKey is YYOSIKJWXUWXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-15-10-20-19(8-9-27-23(20)26)16(2)21(15)13-28-24(31)22-11-18(12-25)30(29-22)14-17-6-4-3-5-7-17/h3-11H,12-14,25H2,1-2H3,(H2,26,27)(H,28,31).
What are the key properties of N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-5-(aminomethyl)-1-benzylpyrazole-3-carboxamide?
N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-5-(aminomethyl)-1-benzylpyrazole-3-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 3.07, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-5-(aminomethyl)-1-benzylpyrazole-3-carboxamide is sourced from PubChem (CID 171090309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).