1-ethyl-2-methyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]imidazole-4-sulfonamide

C20H21N7O3S — CID 122310282

IUPAC1-ethyl-2-methyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]imidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(Oc3cc(-n4cccn4)nc(C)n3)cc2)nc1C
InChIInChI=1S/C20H21N7O3S/c1-4-26-13-20(24-15(26)3)31(28,29)25-16-6-8-17(9-7-16)30-19-12-18(22-14(2)23-19)27-11-5-10-21-27/h5-13,25H,4H2,1-3H3
InChIKeyGTWMAAWZDHPNRB-UHFFFAOYSA-N
MW439.50 g/mol
LogP3.09
Rot. Bonds7

About 1-ethyl-2-methyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]imidazole-4-sulfonamide

1-ethyl-2-methyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]imidazole-4-sulfonamide (PubChem CID 122310282) has the molecular formula C20H21N7O3S and a molecular weight of 439.50 g/mol. Its IUPAC name is 1-ethyl-2-methyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-2-methyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]imidazole-4-sulfonamide
PubChem CID122310282
Molecular FormulaC20H21N7O3S
Molecular Weight439.50 g/mol
Exact Mass439.14
IUPAC Name1-ethyl-2-methyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]imidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(Oc3cc(-n4cccn4)nc(C)n3)cc2)nc1C
InChIInChI=1S/C20H21N7O3S/c1-4-26-13-20(24-15(26)3)31(28,29)25-16-6-8-17(9-7-16)30-19-12-18(22-14(2)23-19)27-11-5-10-21-27/h5-13,25H,4H2,1-3H3
InChIKeyGTWMAAWZDHPNRB-UHFFFAOYSA-N
XLogP3.09
TPSA116.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-ethyl-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-methylimidazole-4-sulfonamide
CID 122313305
N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]naphthalene-1-sulfonamide
CID 122310258
3,5-difluoro-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122310247
2-fluoro-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122310081
4-acetyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122310235
2,5-dimethoxy-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122310077
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 122311793
1-(4-ethoxyphenyl)-3-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122310042
1-(3,5-dimethylphenyl)-3-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122310044
4-methoxy-N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 121072880
2-(4-methylphenoxy)-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122310144
N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-phenylbutanamide
CID 122310017

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]imidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-2-methyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]imidazole-4-sulfonamide (CID 122310282) is 1-ethyl-2-methyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-2-methyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-2-methyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]imidazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2ccc(Oc3cc(-n4cccn4)nc(C)n3)cc2)nc1C.
What is the InChIKey of 1-ethyl-2-methyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]imidazole-4-sulfonamide?
The InChIKey is GTWMAAWZDHPNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O3S/c1-4-26-13-20(24-15(26)3)31(28,29)25-16-6-8-17(9-7-16)30-19-12-18(22-14(2)23-19)27-11-5-10-21-27/h5-13,25H,4H2,1-3H3.
What are the key properties of 1-ethyl-2-methyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]imidazole-4-sulfonamide?
1-ethyl-2-methyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]imidazole-4-sulfonamide has a molecular weight of 439.50 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]imidazole-4-sulfonamide is sourced from PubChem (CID 122310282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).