N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1H-imidazole-5-sulfonamide

C19H19N7O3S — CID 122311390

IUPACN-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1H-imidazole-5-sulfonamide
SMILESCc1nn(-c2cc(Oc3ccc(NS(=O)(=O)c4cnc[nH]4)cc3)ncn2)c(C)c1C
InChIInChI=1S/C19H19N7O3S/c1-12-13(2)24-26(14(12)3)17-8-18(22-11-21-17)29-16-6-4-15(5-7-16)25-30(27,28)19-9-20-10-23-19/h4-11,25H,1-3H3,(H,20,23)
InChIKeyWKQOUQZGWUGRSK-UHFFFAOYSA-N
MW425.47 g/mol
LogP2.90
Rot. Bonds6

About N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1H-imidazole-5-sulfonamide

N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1H-imidazole-5-sulfonamide (PubChem CID 122311390) has the molecular formula C19H19N7O3S and a molecular weight of 425.47 g/mol. Its IUPAC name is N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1H-imidazole-5-sulfonamide
PubChem CID122311390
Molecular FormulaC19H19N7O3S
Molecular Weight425.47 g/mol
Exact Mass425.13
IUPAC NameN-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1H-imidazole-5-sulfonamide
SMILESCc1nn(-c2cc(Oc3ccc(NS(=O)(=O)c4cnc[nH]4)cc3)ncn2)c(C)c1C
InChIInChI=1S/C19H19N7O3S/c1-12-13(2)24-26(14(12)3)17-8-18(22-11-21-17)29-16-6-4-15(5-7-16)25-30(27,28)19-9-20-10-23-19/h4-11,25H,1-3H3,(H,20,23)
InChIKeyWKQOUQZGWUGRSK-UHFFFAOYSA-N
XLogP2.90
TPSA127.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]ethanesulfonamide
CID 122311212
2,5-dimethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122311196
N-[3-methyl-4-[[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]sulfamoyl]phenyl]acetamide
CID 122311402
N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]butane-1-sulfonamide
CID 122311222
3-nitro-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122311453
N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 122311420
N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122310809
2-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122311091
N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]cyclopentanecarboxamide
CID 122311087
2,2-diphenyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide
CID 122311140
4-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]thiophene-2-carboxamide
CID 122311312
4-(trifluoromethoxy)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122311318

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1H-imidazole-5-sulfonamide (CID 122311390) is N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1H-imidazole-5-sulfonamide is Cc1nn(-c2cc(Oc3ccc(NS(=O)(=O)c4cnc[nH]4)cc3)ncn2)c(C)c1C.
What is the InChIKey of N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1H-imidazole-5-sulfonamide?
The InChIKey is WKQOUQZGWUGRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O3S/c1-12-13(2)24-26(14(12)3)17-8-18(22-11-21-17)29-16-6-4-15(5-7-16)25-30(27,28)19-9-20-10-23-19/h4-11,25H,1-3H3,(H,20,23).
What are the key properties of N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1H-imidazole-5-sulfonamide?
N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1H-imidazole-5-sulfonamide has a molecular weight of 425.47 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 122311390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).