1-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-2-propan-2-ylimidazole-4-sulfonamide

C20H24N6O4S — CID 126940083

IUPAC1-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-2-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)c1nc(S(=O)(=O)NC2COCC2n2nc(-c3cccnc3)ccc2=O)cn1C
InChIInChI=1S/C20H24N6O4S/c1-13(2)20-22-18(10-25(20)3)31(28,29)24-16-11-30-12-17(16)26-19(27)7-6-15(23-26)14-5-4-8-21-9-14/h4-10,13,16-17,24H,11-12H2,1-3H3
InChIKeyOYPDHOMOBFHTEL-UHFFFAOYSA-N
MW444.52 g/mol
LogP1.08
Rot. Bonds6

About 1-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-2-propan-2-ylimidazole-4-sulfonamide

1-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-2-propan-2-ylimidazole-4-sulfonamide (PubChem CID 126940083) has the molecular formula C20H24N6O4S and a molecular weight of 444.52 g/mol. Its IUPAC name is 1-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-2-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-2-propan-2-ylimidazole-4-sulfonamide
PubChem CID126940083
Molecular FormulaC20H24N6O4S
Molecular Weight444.52 g/mol
Exact Mass444.16
IUPAC Name1-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-2-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)c1nc(S(=O)(=O)NC2COCC2n2nc(-c3cccnc3)ccc2=O)cn1C
InChIInChI=1S/C20H24N6O4S/c1-13(2)20-22-18(10-25(20)3)31(28,29)24-16-11-30-12-17(16)26-19(27)7-6-15(23-26)14-5-4-8-21-9-14/h4-10,13,16-17,24H,11-12H2,1-3H3
InChIKeyOYPDHOMOBFHTEL-UHFFFAOYSA-N
XLogP1.08
TPSA121.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

6-pyridin-3-yl-2-[4-(1,3-thiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126940106
2-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide
CID 126940053
5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide
CID 126940065
6-pyridin-3-yl-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126940172
2-[4-[(5,6-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)amino]oxolan-3-yl]-6-pyridin-3-ylpyridazin-3-one
CID 126940207
N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 126940070
N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
CID 126940035
2-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]oxolan-3-yl]-6-pyridin-3-ylpyridazin-3-one
CID 126940102
1-methyl-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 100702823
1,2-dimethyl-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)oxolan-3-yl]imidazole-4-sulfonamide
CID 126939478
2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]-6-pyridin-3-ylpyridazin-3-one
CID 126940116
7-methoxy-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
CID 126940029

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-2-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-2-propan-2-ylimidazole-4-sulfonamide (CID 126940083) is 1-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-2-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-2-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-2-propan-2-ylimidazole-4-sulfonamide is CC(C)c1nc(S(=O)(=O)NC2COCC2n2nc(-c3cccnc3)ccc2=O)cn1C.
What is the InChIKey of 1-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-2-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is OYPDHOMOBFHTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O4S/c1-13(2)20-22-18(10-25(20)3)31(28,29)24-16-11-30-12-17(16)26-19(27)7-6-15(23-26)14-5-4-8-21-9-14/h4-10,13,16-17,24H,11-12H2,1-3H3.
What are the key properties of 1-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-2-propan-2-ylimidazole-4-sulfonamide?
1-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-2-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 444.52 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-2-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 126940083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).