1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea

C19H26FN5O3S — CID 137404348

IUPAC1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea
SMILESCC(C)c1cc(F)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1cc(N(C)C)cnn1
InChIInChI=1S/C19H26FN5O3S/c1-11(2)15-7-13(20)8-16(12(3)4)18(15)22-19(26)24-29(27,28)17-9-14(25(5)6)10-21-23-17/h7-12H,1-6H3,(H2,22,24,26)
InChIKeyVWUXFRPUPMLLQS-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.44
Rot. Bonds6

About 1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea

1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea (PubChem CID 137404348) has the molecular formula C19H26FN5O3S and a molecular weight of 423.51 g/mol. Its IUPAC name is 1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea
PubChem CID137404348
Molecular FormulaC19H26FN5O3S
Molecular Weight423.51 g/mol
Exact Mass423.17
IUPAC Name1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea
SMILESCC(C)c1cc(F)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1cc(N(C)C)cnn1
InChIInChI=1S/C19H26FN5O3S/c1-11(2)15-7-13(20)8-16(12(3)4)18(15)22-19(26)24-29(27,28)17-9-14(25(5)6)10-21-23-17/h7-12H,1-6H3,(H2,22,24,26)
InChIKeyVWUXFRPUPMLLQS-UHFFFAOYSA-N
XLogP3.44
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea?
The IUPAC name of 1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea (CID 137404348) is 1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea.
What is the SMILES notation for 1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea?
The canonical SMILES for 1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea is CC(C)c1cc(F)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1cc(N(C)C)cnn1.
What is the InChIKey of 1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea?
The InChIKey is VWUXFRPUPMLLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5O3S/c1-11(2)15-7-13(20)8-16(12(3)4)18(15)22-19(26)24-29(27,28)17-9-14(25(5)6)10-21-23-17/h7-12H,1-6H3,(H2,22,24,26).
What are the key properties of 1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea?
1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea has a molecular weight of 423.51 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea is sourced from PubChem (CID 137404348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).