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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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).