2-isoquinolin-7-yl-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide

C26H21N5O3S — CID 11059945

IUPAC2-isoquinolin-7-yl-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc3ccncc3c2)n1
InChIInChI=1S/C26H21N5O3S/c1-17-14-24(31(30-17)22-11-8-18-12-13-28-16-20(18)15-22)26(32)29-21-9-6-19(7-10-21)23-4-2-3-5-25(23)35(27,33)34/h2-16H,1H3,(H,29,32)(H2,27,33,34)
InChIKeyRTIPPPQSZNJPDC-UHFFFAOYSA-N
MW483.55 g/mol
LogP4.30
Rot. Bonds5

About 2-isoquinolin-7-yl-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide

2-isoquinolin-7-yl-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide (PubChem CID 11059945) has the molecular formula C26H21N5O3S and a molecular weight of 483.55 g/mol. Its IUPAC name is 2-isoquinolin-7-yl-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-isoquinolin-7-yl-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
PubChem CID11059945
Molecular FormulaC26H21N5O3S
Molecular Weight483.55 g/mol
Exact Mass483.14
IUPAC Name2-isoquinolin-7-yl-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc3ccncc3c2)n1
InChIInChI=1S/C26H21N5O3S/c1-17-14-24(31(30-17)22-11-8-18-12-13-28-16-20(18)15-22)26(32)29-21-9-6-19(7-10-21)23-4-2-3-5-25(23)35(27,33)34/h2-16H,1H3,(H,29,32)(H2,27,33,34)
InChIKeyRTIPPPQSZNJPDC-UHFFFAOYSA-N
XLogP4.30
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-7-yl-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 2-isoquinolin-7-yl-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide (CID 11059945) is 2-isoquinolin-7-yl-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-isoquinolin-7-yl-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-isoquinolin-7-yl-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc3ccncc3c2)n1.
What is the InChIKey of 2-isoquinolin-7-yl-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is RTIPPPQSZNJPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O3S/c1-17-14-24(31(30-17)22-11-8-18-12-13-28-16-20(18)15-22)26(32)29-21-9-6-19(7-10-21)23-4-2-3-5-25(23)35(27,33)34/h2-16H,1H3,(H,29,32)(H2,27,33,34).
What are the key properties of 2-isoquinolin-7-yl-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
2-isoquinolin-7-yl-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 483.55 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-7-yl-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 11059945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).