ethyl 5-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate

C18H19N7O5S — CID 14049120

IUPACethyl 5-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccn2)c1S(=O)(=O)NC(=O)Nc1nc(C)cc(C)n1
InChIInChI=1S/C18H19N7O5S/c1-4-30-16(26)13-10-20-25(14-7-5-6-8-19-14)15(13)31(28,29)24-18(27)23-17-21-11(2)9-12(3)22-17/h5-10H,4H2,1-3H3,(H2,21,22,23,24,27)
InChIKeyHETYANBBHGHVPH-UHFFFAOYSA-N
MW445.46 g/mol
LogP1.36
Rot. Bonds6

About ethyl 5-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate

ethyl 5-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate (PubChem CID 14049120) has the molecular formula C18H19N7O5S and a molecular weight of 445.46 g/mol. Its IUPAC name is ethyl 5-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate
PubChem CID14049120
Molecular FormulaC18H19N7O5S
Molecular Weight445.46 g/mol
Exact Mass445.12
IUPAC Nameethyl 5-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccn2)c1S(=O)(=O)NC(=O)Nc1nc(C)cc(C)n1
InChIInChI=1S/C18H19N7O5S/c1-4-30-16(26)13-10-20-25(14-7-5-6-8-19-14)15(13)31(28,29)24-18(27)23-17-21-11(2)9-12(3)22-17/h5-10H,4H2,1-3H3,(H2,21,22,23,24,27)
InChIKeyHETYANBBHGHVPH-UHFFFAOYSA-N
XLogP1.36
TPSA158.06 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.46
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze ethyl 5-[(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 ethyl 5-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate (CID 14049120) is ethyl 5-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccccn2)c1S(=O)(=O)NC(=O)Nc1nc(C)cc(C)n1.
What is the InChIKey of ethyl 5-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate?
The InChIKey is HETYANBBHGHVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O5S/c1-4-30-16(26)13-10-20-25(14-7-5-6-8-19-14)15(13)31(28,29)24-18(27)23-17-21-11(2)9-12(3)22-17/h5-10H,4H2,1-3H3,(H2,21,22,23,24,27).
What are the key properties of ethyl 5-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate?
ethyl 5-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate has a molecular weight of 445.46 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-1-pyridin-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 14049120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).