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

C22H25N7O3S — CID 122310639

IUPACN-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1cc(C)n(-c2cc(Oc3ccc(NS(=O)(=O)c4c(C)nn(C)c4C)cc3)nc(C)n2)n1
InChIInChI=1S/C22H25N7O3S/c1-13-11-14(2)29(25-13)20-12-21(24-17(5)23-20)32-19-9-7-18(8-10-19)27-33(30,31)22-15(3)26-28(6)16(22)4/h7-12,27H,1-6H3
InChIKeyFBJBCOWTWADQKS-UHFFFAOYSA-N
MW467.56 g/mol
LogP3.53
Rot. Bonds6

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

N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 122310639) has the molecular formula C22H25N7O3S and a molecular weight of 467.56 g/mol. Its IUPAC name is N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID122310639
Molecular FormulaC22H25N7O3S
Molecular Weight467.56 g/mol
Exact Mass467.17
IUPAC NameN-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1cc(C)n(-c2cc(Oc3ccc(NS(=O)(=O)c4c(C)nn(C)c4C)cc3)nc(C)n2)n1
InChIInChI=1S/C22H25N7O3S/c1-13-11-14(2)29(25-13)20-12-21(24-17(5)23-20)32-19-9-7-18(8-10-19)27-33(30,31)22-15(3)26-28(6)16(22)4/h7-12,27H,1-6H3
InChIKeyFBJBCOWTWADQKS-UHFFFAOYSA-N
XLogP3.53
TPSA116.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.56
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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)-2-methylpyrimidin-4-yl]oxyphenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 122310468
N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122310809
N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 122310636
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2,4,6-trimethylbenzenesulfonamide
CID 122311580
1,3,5-trimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide
CID 8822238
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 19683754
4-ethyl-N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122310826
N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 122310847
N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 122310563
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1,2-dimethylimidazole-4-sulfonamide
CID 122311787
1-(1,2-benzoxazol-3-yl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]methanesulfonamide
CID 122310656

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 122310639) is N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1cc(C)n(-c2cc(Oc3ccc(NS(=O)(=O)c4c(C)nn(C)c4C)cc3)nc(C)n2)n1.
What is the InChIKey of N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is FBJBCOWTWADQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O3S/c1-13-11-14(2)29(25-13)20-12-21(24-17(5)23-20)32-19-9-7-18(8-10-19)27-33(30,31)22-15(3)26-28(6)16(22)4/h7-12,27H,1-6H3.
What are the key properties of N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 467.56 g/mol, XLogP of 3.53, 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)-2-methylpyrimidin-4-yl]oxyphenyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 122310639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).