2-(2,4-diaminoquinazolin-6-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide

C25H22N8O3S — CID 10186048

IUPAC2-(2,4-diaminoquinazolin-6-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc3nc(N)nc(N)c3c2)n1
InChIInChI=1S/C25H22N8O3S/c1-14-12-21(33(32-14)17-10-11-20-19(13-17)23(26)31-25(27)30-20)24(34)29-16-8-6-15(7-9-16)18-4-2-3-5-22(18)37(28,35)36/h2-13H,1H3,(H,29,34)(H2,28,35,36)(H4,26,27,30,31)
InChIKeyGJSOSYVBARIGQO-UHFFFAOYSA-N
MW514.57 g/mol
LogP2.86
Rot. Bonds5

About 2-(2,4-diaminoquinazolin-6-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide

2-(2,4-diaminoquinazolin-6-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide (PubChem CID 10186048) has the molecular formula C25H22N8O3S and a molecular weight of 514.57 g/mol. Its IUPAC name is 2-(2,4-diaminoquinazolin-6-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(2,4-diaminoquinazolin-6-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
PubChem CID10186048
Molecular FormulaC25H22N8O3S
Molecular Weight514.57 g/mol
Exact Mass514.15
IUPAC Name2-(2,4-diaminoquinazolin-6-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc3nc(N)nc(N)c3c2)n1
InChIInChI=1S/C25H22N8O3S/c1-14-12-21(33(32-14)17-10-11-20-19(13-17)23(26)31-25(27)30-20)24(34)29-16-8-6-15(7-9-16)18-4-2-3-5-22(18)37(28,35)36/h2-13H,1H3,(H,29,34)(H2,28,35,36)(H4,26,27,30,31)
InChIKeyGJSOSYVBARIGQO-UHFFFAOYSA-N
XLogP2.86
TPSA184.90 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.57
LogP ≤ 52.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

1-(1-aminoisoquinolin-7-yl)-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 9892106
1-(4-aminoquinazolin-6-yl)-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 10228720
2-(3-Carbamimidoyl-phenyl)-5-methyl-2H-pyrazole-3-carboxylic acid [5-(2-sulfamoyl-phenyl)-pyrimidin-2-yl]-amide
CID 9982428
2-(3-Carbamimidoyl-phenyl)-5-methyl-2H-pyrazole-3-carboxylic acid [5-(2-sulfamoyl-phenyl)-pyridin-2-yl]-amide
CID 10719336
2-(3-fluoronaphthalen-2-yl)-5-methyl-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 21366553
2-(3-Fluoro-naphthalen-2-yl)-5-methyl-2H-pyrazole-3-carboxylic acid [5-(2-sulfamoyl-phenyl)-pyrimidin-2-yl]-amide
CID 21366554
N-(4-aminophenyl)-3-(4-methylphenyl)-1-quinolin-2-ylpyrazole-5-carboxamide
CID 134155305
N-[5-[2-(tert-butylsulfamoyl)phenyl]pyrimidin-2-yl]-2-(3-carbamimidoylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 10232080
2-(3-fluoronaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)pyridin-2-yl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 21366571
N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide
CID 53822329
2-(6-carbamimidoyl-2-pyridinyl)-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 54121453
2-(6-bromo-2-pyridinyl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 54318335

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-diaminoquinazolin-6-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 2-(2,4-diaminoquinazolin-6-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide (CID 10186048) is 2-(2,4-diaminoquinazolin-6-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-(2,4-diaminoquinazolin-6-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-(2,4-diaminoquinazolin-6-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc3nc(N)nc(N)c3c2)n1.
What is the InChIKey of 2-(2,4-diaminoquinazolin-6-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is GJSOSYVBARIGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N8O3S/c1-14-12-21(33(32-14)17-10-11-20-19(13-17)23(26)31-25(27)30-20)24(34)29-16-8-6-15(7-9-16)18-4-2-3-5-22(18)37(28,35)36/h2-13H,1H3,(H,29,34)(H2,28,35,36)(H4,26,27,30,31).
What are the key properties of 2-(2,4-diaminoquinazolin-6-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
2-(2,4-diaminoquinazolin-6-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 514.57 g/mol, XLogP of 2.86, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-diaminoquinazolin-6-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 10186048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).