methyl 5-[(3-chloro-6-methoxy-2-pyridinyl)-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]sulfamoyl]-1H-pyrazole-4-carboxylate

C18H18ClN7O6S — CID 70473704

IUPACmethyl 5-[(3-chloro-6-methoxy-2-pyridinyl)-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]sulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCOC(=O)c1cn[nH]c1S(=O)(=O)N(C(=O)Nc1nc(C)cc(C)n1)c1nc(OC)ccc1Cl
InChIInChI=1S/C18H18ClN7O6S/c1-9-7-10(2)22-17(21-9)24-18(28)26(14-12(19)5-6-13(23-14)31-3)33(29,30)15-11(8-20-25-15)16(27)32-4/h5-8H,1-4H3,(H,20,25)(H,21,22,24,28)
InChIKeyWXVWADVICKGNII-UHFFFAOYSA-N
MW495.91 g/mol
LogP2.09
Rot. Bonds6

About methyl 5-[(3-chloro-6-methoxy-2-pyridinyl)-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]sulfamoyl]-1H-pyrazole-4-carboxylate

methyl 5-[(3-chloro-6-methoxy-2-pyridinyl)-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]sulfamoyl]-1H-pyrazole-4-carboxylate (PubChem CID 70473704) has the molecular formula C18H18ClN7O6S and a molecular weight of 495.91 g/mol. Its IUPAC name is methyl 5-[(3-chloro-6-methoxy-2-pyridinyl)-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]sulfamoyl]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(3-chloro-6-methoxy-2-pyridinyl)-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]sulfamoyl]-1H-pyrazole-4-carboxylate
PubChem CID70473704
Molecular FormulaC18H18ClN7O6S
Molecular Weight495.91 g/mol
Exact Mass495.07
IUPAC Namemethyl 5-[(3-chloro-6-methoxy-2-pyridinyl)-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]sulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCOC(=O)c1cn[nH]c1S(=O)(=O)N(C(=O)Nc1nc(C)cc(C)n1)c1nc(OC)ccc1Cl
InChIInChI=1S/C18H18ClN7O6S/c1-9-7-10(2)22-17(21-9)24-18(28)26(14-12(19)5-6-13(23-14)31-3)33(29,30)15-11(8-20-25-15)16(27)32-4/h5-8H,1-4H3,(H,20,25)(H,21,22,24,28)
InChIKeyWXVWADVICKGNII-UHFFFAOYSA-N
XLogP2.09
TPSA169.36 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.91
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze methyl 5-[(3-chloro-6-methoxy-2-pyridinyl)-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]sulfamoyl]-1H-pyrazole-4-carboxylate with MolForge

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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
ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-1H-pyrazole-4-carboxylate
CID 70472433
methyl 5-chlorosulfonyl-1H-pyrazole-4-carboxylate
CID 18363150
methyl 3-[(6-chloro-2-pyridinyl)-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]sulfamoyl]-5-methyl-1H-pyrazole-4-carboxylate
CID 88691459
methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-5-methyl-1H-pyrazole-4-carboxylate
CID 70472801
ethyl 5-(dimethylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 51330519
ethyl 5-(dipropylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 47141011
6-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)pyridazine-3-carboxamide
CID 107605634
methyl 2-[[(methoxyamino)-[(4-methoxy-6-methylpyrimidin-2-yl)amino]methylidene]amino]sulfonylbenzoate
CID 54341821
2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide
CID 670750
ethyl 5-[(2-chloro-4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 27372846

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3-chloro-6-methoxy-2-pyridinyl)-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]sulfamoyl]-1H-pyrazole-4-carboxylate?
The IUPAC name of methyl 5-[(3-chloro-6-methoxy-2-pyridinyl)-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]sulfamoyl]-1H-pyrazole-4-carboxylate (CID 70473704) is methyl 5-[(3-chloro-6-methoxy-2-pyridinyl)-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]sulfamoyl]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-[(3-chloro-6-methoxy-2-pyridinyl)-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]sulfamoyl]-1H-pyrazole-4-carboxylate?
The canonical SMILES for methyl 5-[(3-chloro-6-methoxy-2-pyridinyl)-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]sulfamoyl]-1H-pyrazole-4-carboxylate is COC(=O)c1cn[nH]c1S(=O)(=O)N(C(=O)Nc1nc(C)cc(C)n1)c1nc(OC)ccc1Cl.
What is the InChIKey of methyl 5-[(3-chloro-6-methoxy-2-pyridinyl)-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]sulfamoyl]-1H-pyrazole-4-carboxylate?
The InChIKey is WXVWADVICKGNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN7O6S/c1-9-7-10(2)22-17(21-9)24-18(28)26(14-12(19)5-6-13(23-14)31-3)33(29,30)15-11(8-20-25-15)16(27)32-4/h5-8H,1-4H3,(H,20,25)(H,21,22,24,28).
What are the key properties of methyl 5-[(3-chloro-6-methoxy-2-pyridinyl)-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]sulfamoyl]-1H-pyrazole-4-carboxylate?
methyl 5-[(3-chloro-6-methoxy-2-pyridinyl)-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]sulfamoyl]-1H-pyrazole-4-carboxylate has a molecular weight of 495.91 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(3-chloro-6-methoxy-2-pyridinyl)-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]sulfamoyl]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 70473704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).