2-(6-amino-3-pyridinyl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide

C22H20N6O3S — CID 11762113

IUPAC2-(6-amino-3-pyridinyl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc(N)nc2)n1
InChIInChI=1S/C22H20N6O3S/c1-14-12-19(28(27-14)17-10-11-21(23)25-13-17)22(29)26-16-8-6-15(7-9-16)18-4-2-3-5-20(18)32(24,30)31/h2-13H,1H3,(H2,23,25)(H,26,29)(H2,24,30,31)
InChIKeyOHDSMQQIKBOXTD-UHFFFAOYSA-N
MW448.51 g/mol
LogP2.72
Rot. Bonds5

About 2-(6-amino-3-pyridinyl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide

2-(6-amino-3-pyridinyl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide (PubChem CID 11762113) has the molecular formula C22H20N6O3S and a molecular weight of 448.51 g/mol. Its IUPAC name is 2-(6-amino-3-pyridinyl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(6-amino-3-pyridinyl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
PubChem CID11762113
Molecular FormulaC22H20N6O3S
Molecular Weight448.51 g/mol
Exact Mass448.13
IUPAC Name2-(6-amino-3-pyridinyl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc(N)nc2)n1
InChIInChI=1S/C22H20N6O3S/c1-14-12-19(28(27-14)17-10-11-21(23)25-13-17)22(29)26-16-8-6-15(7-9-16)18-4-2-3-5-20(18)32(24,30)31/h2-13H,1H3,(H2,23,25)(H,26,29)(H2,24,30,31)
InChIKeyOHDSMQQIKBOXTD-UHFFFAOYSA-N
XLogP2.72
TPSA145.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.51
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-3-pyridinyl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 2-(6-amino-3-pyridinyl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide (CID 11762113) is 2-(6-amino-3-pyridinyl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-(6-amino-3-pyridinyl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-(6-amino-3-pyridinyl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc(N)nc2)n1.
What is the InChIKey of 2-(6-amino-3-pyridinyl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is OHDSMQQIKBOXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3S/c1-14-12-19(28(27-14)17-10-11-21(23)25-13-17)22(29)26-16-8-6-15(7-9-16)18-4-2-3-5-20(18)32(24,30)31/h2-13H,1H3,(H2,23,25)(H,26,29)(H2,24,30,31).
What are the key properties of 2-(6-amino-3-pyridinyl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
2-(6-amino-3-pyridinyl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 448.51 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-3-pyridinyl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 11762113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).