N-[2-(4-methylpyrazol-1-yl)-5-sulfamoylphenyl]isoquinoline-1-carboxamide

C20H17N5O3S — CID 71908696

IUPACN-[2-(4-methylpyrazol-1-yl)-5-sulfamoylphenyl]isoquinoline-1-carboxamide
SMILESCc1cnn(-c2ccc(S(N)(=O)=O)cc2NC(=O)c2nccc3ccccc23)c1
InChIInChI=1S/C20H17N5O3S/c1-13-11-23-25(12-13)18-7-6-15(29(21,27)28)10-17(18)24-20(26)19-16-5-3-2-4-14(16)8-9-22-19/h2-12H,1H3,(H,24,26)(H2,21,27,28)
InChIKeyDIESMEBOJWIIJL-UHFFFAOYSA-N
MW407.46 g/mol
LogP2.63
Rot. Bonds4

About N-[2-(4-methylpyrazol-1-yl)-5-sulfamoylphenyl]isoquinoline-1-carboxamide

N-[2-(4-methylpyrazol-1-yl)-5-sulfamoylphenyl]isoquinoline-1-carboxamide (PubChem CID 71908696) has the molecular formula C20H17N5O3S and a molecular weight of 407.46 g/mol. Its IUPAC name is N-[2-(4-methylpyrazol-1-yl)-5-sulfamoylphenyl]isoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpyrazol-1-yl)-5-sulfamoylphenyl]isoquinoline-1-carboxamide
PubChem CID71908696
Molecular FormulaC20H17N5O3S
Molecular Weight407.46 g/mol
Exact Mass407.11
IUPAC NameN-[2-(4-methylpyrazol-1-yl)-5-sulfamoylphenyl]isoquinoline-1-carboxamide
SMILESCc1cnn(-c2ccc(S(N)(=O)=O)cc2NC(=O)c2nccc3ccccc23)c1
InChIInChI=1S/C20H17N5O3S/c1-13-11-23-25(12-13)18-7-6-15(29(21,27)28)10-17(18)24-20(26)19-16-5-3-2-4-14(16)8-9-22-19/h2-12H,1H3,(H,24,26)(H2,21,27,28)
InChIKeyDIESMEBOJWIIJL-UHFFFAOYSA-N
XLogP2.63
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-methylpyrazol-1-yl)-5-sulfamoylphenyl]isoquinoline-1-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-[4-(4-methylphenyl)sulfonylphenyl]isoquinoline-1-carboxamide
CID 177399589
4-(4-methylpyrazol-1-yl)-3-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide
CID 71908741
N-(2-fluoro-4-sulfamoylphenyl)-3-methylpyridine-2-carboxamide
CID 62339483
methyl 2-(isoquinoline-1-carbonylamino)benzoate
CID 110861602
N-[(3-methylphenyl)methyl]isoquinoline-1-carboxamide
CID 110850819
N-(2-methyl-5-sulfamoylphenyl)-2-quinoxalin-2-ylsulfanylacetamide
CID 166565316
N-[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]isoquinoline-1-carboxamide
CID 161309658
N-tert-butylisoquinoline-1-carboxamide
CID 62046176
N-(2-benzylphenyl)isoquinoline-1-carboxamide
CID 60600275
N-(2-methyl-4-sulfamoylphenyl)pyridine-3-carboxamide
CID 43246544
2-hydroxy-N-(2-methyl-5-sulfamoylphenyl)benzamide
CID 61129726
N-(2-chloro-5-sulfamoylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 61128987

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpyrazol-1-yl)-5-sulfamoylphenyl]isoquinoline-1-carboxamide?
The IUPAC name of N-[2-(4-methylpyrazol-1-yl)-5-sulfamoylphenyl]isoquinoline-1-carboxamide (CID 71908696) is N-[2-(4-methylpyrazol-1-yl)-5-sulfamoylphenyl]isoquinoline-1-carboxamide.
What is the SMILES notation for N-[2-(4-methylpyrazol-1-yl)-5-sulfamoylphenyl]isoquinoline-1-carboxamide?
The canonical SMILES for N-[2-(4-methylpyrazol-1-yl)-5-sulfamoylphenyl]isoquinoline-1-carboxamide is Cc1cnn(-c2ccc(S(N)(=O)=O)cc2NC(=O)c2nccc3ccccc23)c1.
What is the InChIKey of N-[2-(4-methylpyrazol-1-yl)-5-sulfamoylphenyl]isoquinoline-1-carboxamide?
The InChIKey is DIESMEBOJWIIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3S/c1-13-11-23-25(12-13)18-7-6-15(29(21,27)28)10-17(18)24-20(26)19-16-5-3-2-4-14(16)8-9-22-19/h2-12H,1H3,(H,24,26)(H2,21,27,28).
What are the key properties of N-[2-(4-methylpyrazol-1-yl)-5-sulfamoylphenyl]isoquinoline-1-carboxamide?
N-[2-(4-methylpyrazol-1-yl)-5-sulfamoylphenyl]isoquinoline-1-carboxamide has a molecular weight of 407.46 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpyrazol-1-yl)-5-sulfamoylphenyl]isoquinoline-1-carboxamide is sourced from PubChem (CID 71908696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).