N-[1-(4-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-4-(2-methylsulfonylphenyl)benzamide

C27H23N5O3S — CID 10207039

IUPACN-[1-(4-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-4-(2-methylsulfonylphenyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(-c3ccccc3S(C)(=O)=O)cc2)nn1-c1ccc2c(N)cncc2c1
InChIInChI=1S/C27H23N5O3S/c1-17-13-26(31-32(17)21-11-12-22-20(14-21)15-29-16-24(22)28)30-27(33)19-9-7-18(8-10-19)23-5-3-4-6-25(23)36(2,34)35/h3-16H,28H2,1-2H3,(H,30,31,33)
InChIKeyZLWKGRIVDGPYMM-UHFFFAOYSA-N
MW497.58 g/mol
LogP4.63
Rot. Bonds5

About N-[1-(4-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-4-(2-methylsulfonylphenyl)benzamide

N-[1-(4-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-4-(2-methylsulfonylphenyl)benzamide (PubChem CID 10207039) has the molecular formula C27H23N5O3S and a molecular weight of 497.58 g/mol. Its IUPAC name is N-[1-(4-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-4-(2-methylsulfonylphenyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-4-(2-methylsulfonylphenyl)benzamide
PubChem CID10207039
Molecular FormulaC27H23N5O3S
Molecular Weight497.58 g/mol
Exact Mass497.15
IUPAC NameN-[1-(4-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-4-(2-methylsulfonylphenyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(-c3ccccc3S(C)(=O)=O)cc2)nn1-c1ccc2c(N)cncc2c1
InChIInChI=1S/C27H23N5O3S/c1-17-13-26(31-32(17)21-11-12-22-20(14-21)15-29-16-24(22)28)30-27(33)19-9-7-18(8-10-19)23-5-3-4-6-25(23)36(2,34)35/h3-16H,28H2,1-2H3,(H,30,31,33)
InChIKeyZLWKGRIVDGPYMM-UHFFFAOYSA-N
XLogP4.63
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.58
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-4-(2-sulfamoylphenyl)benzamide
CID 91541998
4-tert-butyl-N-(5-methyl-1-phenylpyrazol-3-yl)benzamide
CID 46107065
N-[5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazol-3-yl]-4-(2-sulfamoylphenyl)benzamide
CID 10163281
2-(6-fluoronaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
CID 21366667
3-isoquinolin-7-yl-N-[4-(2-sulfamoylphenyl)phenyl]triazole-4-carboxamide
CID 10140079
6-chloro-N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]pyridine-3-carboxamide
CID 46107107
4-(methanesulfonamido)-N-(5-methyl-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide
CID 59676755
N-(5-amino-4-methyl-2-pyridinyl)-4-methylsulfonylbenzamide
CID 61292977
2-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 21366647
2-(6-bromonaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide;5-methyl-2-naphthalen-2-yl-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 157118926
N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]quinoxaline-2-carboxamide
CID 46107928
N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]pyrimidine-5-carboxamide
CID 129255075

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-4-(2-methylsulfonylphenyl)benzamide?
The IUPAC name of N-[1-(4-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-4-(2-methylsulfonylphenyl)benzamide (CID 10207039) is N-[1-(4-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-4-(2-methylsulfonylphenyl)benzamide.
What is the SMILES notation for N-[1-(4-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-4-(2-methylsulfonylphenyl)benzamide?
The canonical SMILES for N-[1-(4-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-4-(2-methylsulfonylphenyl)benzamide is Cc1cc(NC(=O)c2ccc(-c3ccccc3S(C)(=O)=O)cc2)nn1-c1ccc2c(N)cncc2c1.
What is the InChIKey of N-[1-(4-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-4-(2-methylsulfonylphenyl)benzamide?
The InChIKey is ZLWKGRIVDGPYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O3S/c1-17-13-26(31-32(17)21-11-12-22-20(14-21)15-29-16-24(22)28)30-27(33)19-9-7-18(8-10-19)23-5-3-4-6-25(23)36(2,34)35/h3-16H,28H2,1-2H3,(H,30,31,33).
What are the key properties of N-[1-(4-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-4-(2-methylsulfonylphenyl)benzamide?
N-[1-(4-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-4-(2-methylsulfonylphenyl)benzamide has a molecular weight of 497.58 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-4-(2-methylsulfonylphenyl)benzamide is sourced from PubChem (CID 10207039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).