methyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-1H-pyrazole-4-carboxylate

C17H17N7O6S — CID 70474196

IUPACmethyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCOC(=O)c1cn[nH]c1S(=O)(=O)N(C(=O)Nc1nc(C)cc(OC)n1)c1ccccn1
InChIInChI=1S/C17H17N7O6S/c1-10-8-13(29-2)21-16(20-10)22-17(26)24(12-6-4-5-7-18-12)31(27,28)14-11(9-19-23-14)15(25)30-3/h4-9H,1-3H3,(H,19,23)(H,20,21,22,26)
InChIKeyLOXHUVYAHLZYFD-UHFFFAOYSA-N
MW447.43 g/mol
LogP1.13
Rot. Bonds6

About methyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-1H-pyrazole-4-carboxylate

methyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-1H-pyrazole-4-carboxylate (PubChem CID 70474196) has the molecular formula C17H17N7O6S and a molecular weight of 447.43 g/mol. Its IUPAC name is methyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-1H-pyrazole-4-carboxylate
PubChem CID70474196
Molecular FormulaC17H17N7O6S
Molecular Weight447.43 g/mol
Exact Mass447.10
IUPAC Namemethyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCOC(=O)c1cn[nH]c1S(=O)(=O)N(C(=O)Nc1nc(C)cc(OC)n1)c1ccccn1
InChIInChI=1S/C17H17N7O6S/c1-10-8-13(29-2)21-16(20-10)22-17(26)24(12-6-4-5-7-18-12)31(27,28)14-11(9-19-23-14)15(25)30-3/h4-9H,1-3H3,(H,19,23)(H,20,21,22,26)
InChIKeyLOXHUVYAHLZYFD-UHFFFAOYSA-N
XLogP1.13
TPSA169.36 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.43
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-1H-pyrazole-4-carboxylate
CID 70472433
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
methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-5-methyl-1H-pyrazole-4-carboxylate
CID 70472801
methyl 5-(pyridin-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 23055541
methyl 2-[[(methoxyamino)-[(4-methoxy-6-methylpyrimidin-2-yl)amino]methylidene]amino]sulfonylbenzoate
CID 54341821
methyl 3-[(6-chloro-2-pyridinyl)-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]sulfamoyl]-5-methyl-1H-pyrazole-4-carboxylate
CID 88691459
(2-ethoxyphenyl) N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]sulfamate
CID 20762994
methyl 5-chlorosulfonyl-1H-pyrazole-4-carboxylate
CID 18363150
methyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate
CID 13364392
1-(2-hydroxyphenyl)sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
CID 14774716
ethyl 2-[5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1H-pyrazol-4-yl]acetate
CID 57251106

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-1H-pyrazole-4-carboxylate?
The IUPAC name of methyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-1H-pyrazole-4-carboxylate (CID 70474196) is methyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-1H-pyrazole-4-carboxylate?
The canonical SMILES for methyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-1H-pyrazole-4-carboxylate is COC(=O)c1cn[nH]c1S(=O)(=O)N(C(=O)Nc1nc(C)cc(OC)n1)c1ccccn1.
What is the InChIKey of methyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-1H-pyrazole-4-carboxylate?
The InChIKey is LOXHUVYAHLZYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O6S/c1-10-8-13(29-2)21-16(20-10)22-17(26)24(12-6-4-5-7-18-12)31(27,28)14-11(9-19-23-14)15(25)30-3/h4-9H,1-3H3,(H,19,23)(H,20,21,22,26).
What are the key properties of methyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-1H-pyrazole-4-carboxylate?
methyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-1H-pyrazole-4-carboxylate has a molecular weight of 447.43 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 70474196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).