7-(3,5-dimethoxyanilino)-5-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide

C22H23N7O5S — CID 25138166

IUPAC7-(3,5-dimethoxyanilino)-5-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide
SMILESCOc1cc(Nc2nc(NCc3ccc(S(N)(=O)=O)cc3)n3ccnc3c2C(N)=O)cc(OC)c1
InChIInChI=1S/C22H23N7O5S/c1-33-15-9-14(10-16(11-15)34-2)27-20-18(19(23)30)21-25-7-8-29(21)22(28-20)26-12-13-3-5-17(6-4-13)35(24,31)32/h3-11,27H,12H2,1-2H3,(H2,23,30)(H,26,28)(H2,24,31,32)
InChIKeyZIAAOWBXSQBCFH-UHFFFAOYSA-N
MW497.54 g/mol
LogP1.85
Rot. Bonds9

About 7-(3,5-dimethoxyanilino)-5-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide

7-(3,5-dimethoxyanilino)-5-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide (PubChem CID 25138166) has the molecular formula C22H23N7O5S and a molecular weight of 497.54 g/mol. Its IUPAC name is 7-(3,5-dimethoxyanilino)-5-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name7-(3,5-dimethoxyanilino)-5-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide
PubChem CID25138166
Molecular FormulaC22H23N7O5S
Molecular Weight497.54 g/mol
Exact Mass497.15
IUPAC Name7-(3,5-dimethoxyanilino)-5-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide
SMILESCOc1cc(Nc2nc(NCc3ccc(S(N)(=O)=O)cc3)n3ccnc3c2C(N)=O)cc(OC)c1
InChIInChI=1S/C22H23N7O5S/c1-33-15-9-14(10-16(11-15)34-2)27-20-18(19(23)30)21-25-7-8-29(21)22(28-20)26-12-13-3-5-17(6-4-13)35(24,31)32/h3-11,27H,12H2,1-2H3,(H2,23,30)(H,26,28)(H2,24,31,32)
InChIKeyZIAAOWBXSQBCFH-UHFFFAOYSA-N
XLogP1.85
TPSA175.96 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.54
LogP ≤ 51.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethoxyanilino)-5-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide?
The IUPAC name of 7-(3,5-dimethoxyanilino)-5-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide (CID 25138166) is 7-(3,5-dimethoxyanilino)-5-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide.
What is the SMILES notation for 7-(3,5-dimethoxyanilino)-5-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide?
The canonical SMILES for 7-(3,5-dimethoxyanilino)-5-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide is COc1cc(Nc2nc(NCc3ccc(S(N)(=O)=O)cc3)n3ccnc3c2C(N)=O)cc(OC)c1.
What is the InChIKey of 7-(3,5-dimethoxyanilino)-5-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide?
The InChIKey is ZIAAOWBXSQBCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O5S/c1-33-15-9-14(10-16(11-15)34-2)27-20-18(19(23)30)21-25-7-8-29(21)22(28-20)26-12-13-3-5-17(6-4-13)35(24,31)32/h3-11,27H,12H2,1-2H3,(H2,23,30)(H,26,28)(H2,24,31,32).
What are the key properties of 7-(3,5-dimethoxyanilino)-5-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide?
7-(3,5-dimethoxyanilino)-5-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide has a molecular weight of 497.54 g/mol, XLogP of 1.85, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethoxyanilino)-5-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-c]pyrimidine-8-carboxamide is sourced from PubChem (CID 25138166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).