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

C25H21N7O3S — CID 10228720

IUPAC2-(4-aminoquinazolin-6-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc3ncnc(N)c3c2)n1
InChIInChI=1S/C25H21N7O3S/c1-15-12-22(32(31-15)18-10-11-21-20(13-18)24(26)29-14-28-21)25(33)30-17-8-6-16(7-9-17)19-4-2-3-5-23(19)36(27,34)35/h2-14H,1H3,(H,30,33)(H2,26,28,29)(H2,27,34,35)
InChIKeyAWZZHDCUABMZQK-UHFFFAOYSA-N
MW499.56 g/mol
LogP3.27
Rot. Bonds5

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

2-(4-aminoquinazolin-6-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide (PubChem CID 10228720) has the molecular formula C25H21N7O3S and a molecular weight of 499.56 g/mol. Its IUPAC name is 2-(4-aminoquinazolin-6-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(4-aminoquinazolin-6-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
PubChem CID10228720
Molecular FormulaC25H21N7O3S
Molecular Weight499.56 g/mol
Exact Mass499.14
IUPAC Name2-(4-aminoquinazolin-6-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc3ncnc(N)c3c2)n1
InChIInChI=1S/C25H21N7O3S/c1-15-12-22(32(31-15)18-10-11-21-20(13-18)24(26)29-14-28-21)25(33)30-17-8-6-16(7-9-17)19-4-2-3-5-23(19)36(27,34)35/h2-14H,1H3,(H,30,33)(H2,26,28,29)(H2,27,34,35)
InChIKeyAWZZHDCUABMZQK-UHFFFAOYSA-N
XLogP3.27
TPSA158.88 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.56
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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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-(2,4-diaminoquinazolin-6-yl)-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 10186048
2-(3-Carbamimidoyl-phenyl)-5-methyl-2H-pyrazole-3-carboxylic acid [5-(2-sulfamoyl-phenyl)-pyrimidin-2-yl]-amide
CID 9982428
N-[5-(2-Sulfamoylphenyl)-2-pyrimidinyl]-1-(3-amidinophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 10119254
2-(3-Carbamimidoyl-phenyl)-5-methyl-2H-pyrazole-3-carboxylic acid [5-(2-sulfamoyl-phenyl)-pyridin-2-yl]-amide
CID 10719336
2-(3-Carbamimidoyl-phenyl)-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid [5-(2-sulfamoyl-phenyl)-pyridin-2-yl]-amide
CID 18549309
1-(isoquinolin-7-yl)-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 11059945
5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 20595087
2-(3-Methanesulfonyl-naphthalen-2-yl)-5-methyl-2H-pyrazole-3-carboxylic acid [5-(2-sulfamoyl-phenyl)-pyrimidin-2-yl]-amide
CID 20595088
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
2-(6-chloronaphthalen-2-yl)-5-methyl-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 21366640

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminoquinazolin-6-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 2-(4-aminoquinazolin-6-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide (CID 10228720) is 2-(4-aminoquinazolin-6-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-(4-aminoquinazolin-6-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-(4-aminoquinazolin-6-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc3ncnc(N)c3c2)n1.
What is the InChIKey of 2-(4-aminoquinazolin-6-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is AWZZHDCUABMZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O3S/c1-15-12-22(32(31-15)18-10-11-21-20(13-18)24(26)29-14-28-21)25(33)30-17-8-6-16(7-9-17)19-4-2-3-5-23(19)36(27,34)35/h2-14H,1H3,(H,30,33)(H2,26,28,29)(H2,27,34,35).
What are the key properties of 2-(4-aminoquinazolin-6-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
2-(4-aminoquinazolin-6-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 499.56 g/mol, XLogP of 3.27, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminoquinazolin-6-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 10228720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).