methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-5-methyl-1H-pyrazole-4-carboxylate

C18H19N7O5S — CID 70472801

IUPACmethyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-5-methyl-1H-pyrazole-4-carboxylate
SMILESCOC(=O)c1c(S(=O)(=O)N(C(=O)Nc2nc(C)cc(C)n2)c2ccccn2)n[nH]c1C
InChIInChI=1S/C18H19N7O5S/c1-10-9-11(2)21-17(20-10)22-18(27)25(13-7-5-6-8-19-13)31(28,29)15-14(16(26)30-4)12(3)23-24-15/h5-9H,1-4H3,(H,23,24)(H,20,21,22,27)
InChIKeyJRTCSYPFCRBVLC-UHFFFAOYSA-N
MW445.46 g/mol
LogP1.73
Rot. Bonds5

About methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-5-methyl-1H-pyrazole-4-carboxylate

methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-5-methyl-1H-pyrazole-4-carboxylate (PubChem CID 70472801) has the molecular formula C18H19N7O5S and a molecular weight of 445.46 g/mol. Its IUPAC name is methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-5-methyl-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-5-methyl-1H-pyrazole-4-carboxylate
PubChem CID70472801
Molecular FormulaC18H19N7O5S
Molecular Weight445.46 g/mol
Exact Mass445.12
IUPAC Namemethyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-5-methyl-1H-pyrazole-4-carboxylate
SMILESCOC(=O)c1c(S(=O)(=O)N(C(=O)Nc2nc(C)cc(C)n2)c2ccccn2)n[nH]c1C
InChIInChI=1S/C18H19N7O5S/c1-10-9-11(2)21-17(20-10)22-18(27)25(13-7-5-6-8-19-13)31(28,29)15-14(16(26)30-4)12(3)23-24-15/h5-9H,1-4H3,(H,23,24)(H,20,21,22,27)
InChIKeyJRTCSYPFCRBVLC-UHFFFAOYSA-N
XLogP1.73
TPSA160.13 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.46
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-5-methyl-1H-pyrazole-4-carboxylate?
The IUPAC name of methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-5-methyl-1H-pyrazole-4-carboxylate (CID 70472801) is methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-5-methyl-1H-pyrazole-4-carboxylate.
What is the SMILES notation for methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-5-methyl-1H-pyrazole-4-carboxylate?
The canonical SMILES for methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-5-methyl-1H-pyrazole-4-carboxylate is COC(=O)c1c(S(=O)(=O)N(C(=O)Nc2nc(C)cc(C)n2)c2ccccn2)n[nH]c1C.
What is the InChIKey of methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-5-methyl-1H-pyrazole-4-carboxylate?
The InChIKey is JRTCSYPFCRBVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O5S/c1-10-9-11(2)21-17(20-10)22-18(27)25(13-7-5-6-8-19-13)31(28,29)15-14(16(26)30-4)12(3)23-24-15/h5-9H,1-4H3,(H,23,24)(H,20,21,22,27).
What are the key properties of methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-5-methyl-1H-pyrazole-4-carboxylate?
methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-5-methyl-1H-pyrazole-4-carboxylate has a molecular weight of 445.46 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-5-methyl-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 70472801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).