1-[[4-(diethylsulfamoyl)phenyl]methyl]-N-pyrimidin-4-ylindazole-3-carboxamide

C23H24N6O3S — CID 91800613

IUPAC1-[[4-(diethylsulfamoyl)phenyl]methyl]-N-pyrimidin-4-ylindazole-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cn2nc(C(=O)Nc3ccncn3)c3ccccc32)cc1
InChIInChI=1S/C23H24N6O3S/c1-3-28(4-2)33(31,32)18-11-9-17(10-12-18)15-29-20-8-6-5-7-19(20)22(27-29)23(30)26-21-13-14-24-16-25-21/h5-14,16H,3-4,15H2,1-2H3,(H,24,25,26,30)
InChIKeyFQWCTSFVJUCDMS-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.16
Rot. Bonds8

About 1-[[4-(diethylsulfamoyl)phenyl]methyl]-N-pyrimidin-4-ylindazole-3-carboxamide

1-[[4-(diethylsulfamoyl)phenyl]methyl]-N-pyrimidin-4-ylindazole-3-carboxamide (PubChem CID 91800613) has the molecular formula C23H24N6O3S and a molecular weight of 464.55 g/mol. Its IUPAC name is 1-[[4-(diethylsulfamoyl)phenyl]methyl]-N-pyrimidin-4-ylindazole-3-carboxamide.

Molecular Properties

Compound Name1-[[4-(diethylsulfamoyl)phenyl]methyl]-N-pyrimidin-4-ylindazole-3-carboxamide
PubChem CID91800613
Molecular FormulaC23H24N6O3S
Molecular Weight464.55 g/mol
Exact Mass464.16
IUPAC Name1-[[4-(diethylsulfamoyl)phenyl]methyl]-N-pyrimidin-4-ylindazole-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cn2nc(C(=O)Nc3ccncn3)c3ccccc32)cc1
InChIInChI=1S/C23H24N6O3S/c1-3-28(4-2)33(31,32)18-11-9-17(10-12-18)15-29-20-8-6-5-7-19(20)22(27-29)23(30)26-21-13-14-24-16-25-21/h5-14,16H,3-4,15H2,1-2H3,(H,24,25,26,30)
InChIKeyFQWCTSFVJUCDMS-UHFFFAOYSA-N
XLogP3.16
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
N-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]-2-(4-methylsulfonylphenyl)acetamide
CID 25110821
3-({1-[3-(Pyridin-2-ylamino)-propyl]-1H-indazole-5-carbonyl}-amino)-2-(2,4,6-trimethyl-benzenesulfonylamino)-propionic acid
CID 11757623
2,6-difluoro-N-[3-[3-[2-(4-sulfamoylanilino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
CID 44528947
2,6-difluoro-N-[3-[3-[2-(3-sulfamoylanilino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
CID 44529208
2,6-difluoro-3-(propylsulfonylamino)-N-(2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)benzamide
CID 67053220
2,6-difluoro-N-(2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(propylsulfonylamino)benzamide
CID 67970606
2,6-difluoro-N-[2-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(propylsulfonylamino)benzamide
CID 67971197

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(diethylsulfamoyl)phenyl]methyl]-N-pyrimidin-4-ylindazole-3-carboxamide?
The IUPAC name of 1-[[4-(diethylsulfamoyl)phenyl]methyl]-N-pyrimidin-4-ylindazole-3-carboxamide (CID 91800613) is 1-[[4-(diethylsulfamoyl)phenyl]methyl]-N-pyrimidin-4-ylindazole-3-carboxamide.
What is the SMILES notation for 1-[[4-(diethylsulfamoyl)phenyl]methyl]-N-pyrimidin-4-ylindazole-3-carboxamide?
The canonical SMILES for 1-[[4-(diethylsulfamoyl)phenyl]methyl]-N-pyrimidin-4-ylindazole-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(Cn2nc(C(=O)Nc3ccncn3)c3ccccc32)cc1.
What is the InChIKey of 1-[[4-(diethylsulfamoyl)phenyl]methyl]-N-pyrimidin-4-ylindazole-3-carboxamide?
The InChIKey is FQWCTSFVJUCDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3S/c1-3-28(4-2)33(31,32)18-11-9-17(10-12-18)15-29-20-8-6-5-7-19(20)22(27-29)23(30)26-21-13-14-24-16-25-21/h5-14,16H,3-4,15H2,1-2H3,(H,24,25,26,30).
What are the key properties of 1-[[4-(diethylsulfamoyl)phenyl]methyl]-N-pyrimidin-4-ylindazole-3-carboxamide?
1-[[4-(diethylsulfamoyl)phenyl]methyl]-N-pyrimidin-4-ylindazole-3-carboxamide has a molecular weight of 464.55 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(diethylsulfamoyl)phenyl]methyl]-N-pyrimidin-4-ylindazole-3-carboxamide is sourced from PubChem (CID 91800613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).