N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-ethyl-2-methylimidazole-4-sulfonamide

C17H24N8O2S — CID 122289787

IUPACN-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCNc2cc(-n3nc(C)cc3C)ncn2)nc1C
InChIInChI=1S/C17H24N8O2S/c1-5-24-10-17(22-14(24)4)28(26,27)21-7-6-18-15-9-16(20-11-19-15)25-13(3)8-12(2)23-25/h8-11,21H,5-7H2,1-4H3,(H,18,19,20)
InChIKeyZIVDYRIQXATGDF-UHFFFAOYSA-N
MW404.50 g/mol
LogP1.19
Rot. Bonds8

About N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-ethyl-2-methylimidazole-4-sulfonamide

N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-ethyl-2-methylimidazole-4-sulfonamide (PubChem CID 122289787) has the molecular formula C17H24N8O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-ethyl-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-ethyl-2-methylimidazole-4-sulfonamide
PubChem CID122289787
Molecular FormulaC17H24N8O2S
Molecular Weight404.50 g/mol
Exact Mass404.17
IUPAC NameN-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCNc2cc(-n3nc(C)cc3C)ncn2)nc1C
InChIInChI=1S/C17H24N8O2S/c1-5-24-10-17(22-14(24)4)28(26,27)21-7-6-18-15-9-16(20-11-19-15)25-13(3)8-12(2)23-25/h8-11,21H,5-7H2,1-4H3,(H,18,19,20)
InChIKeyZIVDYRIQXATGDF-UHFFFAOYSA-N
XLogP1.19
TPSA119.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-ethyl-2-methylimidazole-4-sulfonamide?
The IUPAC name of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-ethyl-2-methylimidazole-4-sulfonamide (CID 122289787) is N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-ethyl-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-ethyl-2-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-ethyl-2-methylimidazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCCNc2cc(-n3nc(C)cc3C)ncn2)nc1C.
What is the InChIKey of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-ethyl-2-methylimidazole-4-sulfonamide?
The InChIKey is ZIVDYRIQXATGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N8O2S/c1-5-24-10-17(22-14(24)4)28(26,27)21-7-6-18-15-9-16(20-11-19-15)25-13(3)8-12(2)23-25/h8-11,21H,5-7H2,1-4H3,(H,18,19,20).
What are the key properties of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-ethyl-2-methylimidazole-4-sulfonamide?
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-ethyl-2-methylimidazole-4-sulfonamide has a molecular weight of 404.50 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-ethyl-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 122289787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).