N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1,2-dimethylimidazole-4-sulfonamide

C20H21N7O3S — CID 122311787

IUPACN-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1cc(C)n(-c2cc(Oc3ccc(NS(=O)(=O)c4cn(C)c(C)n4)cc3)ncn2)n1
InChIInChI=1S/C20H21N7O3S/c1-13-9-14(2)27(24-13)18-10-19(22-12-21-18)30-17-7-5-16(6-8-17)25-31(28,29)20-11-26(4)15(3)23-20/h5-12,25H,1-4H3
InChIKeyPPJMJQVUMOKKOZ-UHFFFAOYSA-N
MW439.50 g/mol
LogP2.91
Rot. Bonds6

About N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1,2-dimethylimidazole-4-sulfonamide

N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 122311787) has the molecular formula C20H21N7O3S and a molecular weight of 439.50 g/mol. Its IUPAC name is N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1,2-dimethylimidazole-4-sulfonamide
PubChem CID122311787
Molecular FormulaC20H21N7O3S
Molecular Weight439.50 g/mol
Exact Mass439.14
IUPAC NameN-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1cc(C)n(-c2cc(Oc3ccc(NS(=O)(=O)c4cn(C)c(C)n4)cc3)ncn2)n1
InChIInChI=1S/C20H21N7O3S/c1-13-9-14(2)27(24-13)18-10-19(22-12-21-18)30-17-7-5-16(6-8-17)25-31(28,29)20-11-26(4)15(3)23-20/h5-12,25H,1-4H3
InChIKeyPPJMJQVUMOKKOZ-UHFFFAOYSA-N
XLogP2.91
TPSA116.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 122311793
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2,4,6-trimethylbenzenesulfonamide
CID 122311580
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122311802
4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenoxy)pyrimidine
CID 850309
N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-4-methoxybenzenesulfonamide
CID 122310436
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1-(3-fluorophenyl)methanesulfonamide
CID 122311753
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
CID 122311784
N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]-1,2-dimethylimidazole-4-sulfonamide
CID 122287168
N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 122310639
1,2-dimethyl-N-(4-methylphenyl)imidazole-4-sulfonamide
CID 53008183
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1,2-oxazole-5-carboxamide
CID 122311628
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2,5-dimethoxybenzenesulfonamide
CID 122305495

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1,2-dimethylimidazole-4-sulfonamide (CID 122311787) is N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1,2-dimethylimidazole-4-sulfonamide is Cc1cc(C)n(-c2cc(Oc3ccc(NS(=O)(=O)c4cn(C)c(C)n4)cc3)ncn2)n1.
What is the InChIKey of N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is PPJMJQVUMOKKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O3S/c1-13-9-14(2)27(24-13)18-10-19(22-12-21-18)30-17-7-5-16(6-8-17)25-31(28,29)20-11-26(4)15(3)23-20/h5-12,25H,1-4H3.
What are the key properties of N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1,2-dimethylimidazole-4-sulfonamide?
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 439.50 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 122311787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).