methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate

C17H17N7O5S — CID 14882217

IUPACmethyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate
SMILESCOC(=O)c1cn(-c2ccccn2)nc1S(=O)(=O)NC(=O)Nc1nc(C)cc(C)n1
InChIInChI=1S/C17H17N7O5S/c1-10-8-11(2)20-16(19-10)21-17(26)23-30(27,28)14-12(15(25)29-3)9-24(22-14)13-6-4-5-7-18-13/h4-9H,1-3H3,(H2,19,20,21,23,26)
InChIKeyBIRXAYYSGFGLQH-UHFFFAOYSA-N
MW431.43 g/mol
LogP0.97
Rot. Bonds5

About methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate

methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate (PubChem CID 14882217) has the molecular formula C17H17N7O5S and a molecular weight of 431.43 g/mol. Its IUPAC name is methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate
PubChem CID14882217
Molecular FormulaC17H17N7O5S
Molecular Weight431.43 g/mol
Exact Mass431.10
IUPAC Namemethyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate
SMILESCOC(=O)c1cn(-c2ccccn2)nc1S(=O)(=O)NC(=O)Nc1nc(C)cc(C)n1
InChIInChI=1S/C17H17N7O5S/c1-10-8-11(2)20-16(19-10)21-17(26)23-30(27,28)14-12(15(25)29-3)9-24(22-14)13-6-4-5-7-18-13/h4-9H,1-3H3,(H2,19,20,21,23,26)
InChIKeyBIRXAYYSGFGLQH-UHFFFAOYSA-N
XLogP0.97
TPSA158.06 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate?
The IUPAC name of methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate (CID 14882217) is methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate.
What is the SMILES notation for methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate?
The canonical SMILES for methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate is COC(=O)c1cn(-c2ccccn2)nc1S(=O)(=O)NC(=O)Nc1nc(C)cc(C)n1.
What is the InChIKey of methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate?
The InChIKey is BIRXAYYSGFGLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O5S/c1-10-8-11(2)20-16(19-10)21-17(26)23-30(27,28)14-12(15(25)29-3)9-24(22-14)13-6-4-5-7-18-13/h4-9H,1-3H3,(H2,19,20,21,23,26).
What are the key properties of methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate?
methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate has a molecular weight of 431.43 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 14882217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).