ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-1H-pyrazole-4-carboxylate

C18H19N7O7S — CID 70472433

IUPACethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)N(C(=O)Nc1nc(OC)cc(OC)n1)c1ccccn1
InChIInChI=1S/C18H19N7O7S/c1-4-32-16(26)11-10-20-24-15(11)33(28,29)25(12-7-5-6-8-19-12)18(27)23-17-21-13(30-2)9-14(22-17)31-3/h5-10H,4H2,1-3H3,(H,20,24)(H,21,22,23,27)
InChIKeyFEXRLKDMNMFLSD-UHFFFAOYSA-N
MW477.46 g/mol
LogP1.22
Rot. Bonds8

About ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-1H-pyrazole-4-carboxylate

ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-1H-pyrazole-4-carboxylate (PubChem CID 70472433) has the molecular formula C18H19N7O7S and a molecular weight of 477.46 g/mol. Its IUPAC name is ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-1H-pyrazole-4-carboxylate
PubChem CID70472433
Molecular FormulaC18H19N7O7S
Molecular Weight477.46 g/mol
Exact Mass477.11
IUPAC Nameethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)N(C(=O)Nc1nc(OC)cc(OC)n1)c1ccccn1
InChIInChI=1S/C18H19N7O7S/c1-4-32-16(26)11-10-20-24-15(11)33(28,29)25(12-7-5-6-8-19-12)18(27)23-17-21-13(30-2)9-14(22-17)31-3/h5-10H,4H2,1-3H3,(H,20,24)(H,21,22,23,27)
InChIKeyFEXRLKDMNMFLSD-UHFFFAOYSA-N
XLogP1.22
TPSA178.59 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.46
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-1H-pyrazole-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

Related Compounds

methyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-1H-pyrazole-4-carboxylate
CID 70474196
methyl 5-[(6-chloro-2-pyridinyl)-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl]-1H-pyrazole-4-carboxylate
CID 88691243
methyl 5-[(3-chloro-6-methoxy-2-pyridinyl)-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]sulfamoyl]-1H-pyrazole-4-carboxylate
CID 70473704
ethyl 5-(dimethylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 51330519
ethyl 5-(dipropylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 47141011
methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-5-methyl-1H-pyrazole-4-carboxylate
CID 70472801
ethyl 2-[5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1H-pyrazol-4-yl]acetate
CID 57251106
ethyl 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-(pyridin-2-ylmethyl)pyrazole-4-carboxylate
CID 19839496
ethyl 5-[methyl(propyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 47265875
sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-(2-ethoxycarbonylphenoxy)sulfonylazanide
CID 155567264
ethyl 6-methoxy-1H-pyrazolo[5,4-b]pyridine-4-carboxylate
CID 139542716
methyl 5-(pyridin-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 23055541

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-1H-pyrazole-4-carboxylate (CID 70472433) is ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1S(=O)(=O)N(C(=O)Nc1nc(OC)cc(OC)n1)c1ccccn1.
What is the InChIKey of ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-1H-pyrazole-4-carboxylate?
The InChIKey is FEXRLKDMNMFLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O7S/c1-4-32-16(26)11-10-20-24-15(11)33(28,29)25(12-7-5-6-8-19-12)18(27)23-17-21-13(30-2)9-14(22-17)31-3/h5-10H,4H2,1-3H3,(H,20,24)(H,21,22,23,27).
What are the key properties of ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-1H-pyrazole-4-carboxylate?
ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-1H-pyrazole-4-carboxylate has a molecular weight of 477.46 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 70472433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).