N-[5-(2,6-dimethoxyphenyl)-6-(5-methylfuran-2-yl)imidazo[4,5-c]pyridazin-3-yl]methanesulfonamide

C19H19N5O5S — CID 146509377

IUPACN-[5-(2,6-dimethoxyphenyl)-6-(5-methylfuran-2-yl)imidazo[4,5-c]pyridazin-3-yl]methanesulfonamide
SMILESCOc1cccc(OC)c1-n1c(-c2ccc(C)o2)nc2nnc(NS(C)(=O)=O)cc21
InChIInChI=1S/C19H19N5O5S/c1-11-8-9-15(29-11)19-20-18-12(10-16(21-22-18)23-30(4,25)26)24(19)17-13(27-2)6-5-7-14(17)28-3/h5-10H,1-4H3,(H,21,23)
InChIKeyRFDZGHWIPMTIMK-UHFFFAOYSA-N
MW429.46 g/mol
LogP2.77
Rot. Bonds6

About N-[5-(2,6-dimethoxyphenyl)-6-(5-methylfuran-2-yl)imidazo[4,5-c]pyridazin-3-yl]methanesulfonamide

N-[5-(2,6-dimethoxyphenyl)-6-(5-methylfuran-2-yl)imidazo[4,5-c]pyridazin-3-yl]methanesulfonamide (PubChem CID 146509377) has the molecular formula C19H19N5O5S and a molecular weight of 429.46 g/mol. Its IUPAC name is N-[5-(2,6-dimethoxyphenyl)-6-(5-methylfuran-2-yl)imidazo[4,5-c]pyridazin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(2,6-dimethoxyphenyl)-6-(5-methylfuran-2-yl)imidazo[4,5-c]pyridazin-3-yl]methanesulfonamide
PubChem CID146509377
Molecular FormulaC19H19N5O5S
Molecular Weight429.46 g/mol
Exact Mass429.11
IUPAC NameN-[5-(2,6-dimethoxyphenyl)-6-(5-methylfuran-2-yl)imidazo[4,5-c]pyridazin-3-yl]methanesulfonamide
SMILESCOc1cccc(OC)c1-n1c(-c2ccc(C)o2)nc2nnc(NS(C)(=O)=O)cc21
InChIInChI=1S/C19H19N5O5S/c1-11-8-9-15(29-11)19-20-18-12(10-16(21-22-18)23-30(4,25)26)24(19)17-13(27-2)6-5-7-14(17)28-3/h5-10H,1-4H3,(H,21,23)
InChIKeyRFDZGHWIPMTIMK-UHFFFAOYSA-N
XLogP2.77
TPSA121.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-bromo-4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazole
CID 134542777
N-[6-(6-ethoxy-2-pyridinyl)-5-(2-hydroxy-6-methoxyphenyl)imidazo[4,5-c]pyridazin-3-yl]-1-(4-fluorophenyl)methanesulfonamide
CID 176547897
N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]thiohydroxylamine
CID 142359054
methyl 3-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]benzoate
CID 135341194
(1S,2R)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1-hydroxy-1-(5-methoxypyrimidin-2-yl)propane-2-sulfonamide
CID 139472846
(1R,2S)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1-hydroxy-1-(5-methoxypyrimidin-2-yl)propane-2-sulfonamide
CID 139472847
(3S,4R)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-4-hydroxyoxane-3-sulfonamide
CID 134543631
N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1-imidazo[1,2-a]pyridin-2-yl-1-methoxypropane-2-sulfonamide
CID 139462935
(2R,3R)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-3-hydroxy-3-(5-methylpyrimidin-2-yl)butane-2-sulfonamide
CID 134552926
(2S,3R)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-3-(5-fluoropyrimidin-2-yl)-3-hydroxybutane-2-sulfonamide
CID 134542882
(2R,3S)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-3-(5-fluoropyrimidin-2-yl)-3-hydroxybutane-2-sulfonamide
CID 134543815
(E)-4-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]but-3-en-2-ol
CID 135340253

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,6-dimethoxyphenyl)-6-(5-methylfuran-2-yl)imidazo[4,5-c]pyridazin-3-yl]methanesulfonamide?
The IUPAC name of N-[5-(2,6-dimethoxyphenyl)-6-(5-methylfuran-2-yl)imidazo[4,5-c]pyridazin-3-yl]methanesulfonamide (CID 146509377) is N-[5-(2,6-dimethoxyphenyl)-6-(5-methylfuran-2-yl)imidazo[4,5-c]pyridazin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[5-(2,6-dimethoxyphenyl)-6-(5-methylfuran-2-yl)imidazo[4,5-c]pyridazin-3-yl]methanesulfonamide?
The canonical SMILES for N-[5-(2,6-dimethoxyphenyl)-6-(5-methylfuran-2-yl)imidazo[4,5-c]pyridazin-3-yl]methanesulfonamide is COc1cccc(OC)c1-n1c(-c2ccc(C)o2)nc2nnc(NS(C)(=O)=O)cc21.
What is the InChIKey of N-[5-(2,6-dimethoxyphenyl)-6-(5-methylfuran-2-yl)imidazo[4,5-c]pyridazin-3-yl]methanesulfonamide?
The InChIKey is RFDZGHWIPMTIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O5S/c1-11-8-9-15(29-11)19-20-18-12(10-16(21-22-18)23-30(4,25)26)24(19)17-13(27-2)6-5-7-14(17)28-3/h5-10H,1-4H3,(H,21,23).
What are the key properties of N-[5-(2,6-dimethoxyphenyl)-6-(5-methylfuran-2-yl)imidazo[4,5-c]pyridazin-3-yl]methanesulfonamide?
N-[5-(2,6-dimethoxyphenyl)-6-(5-methylfuran-2-yl)imidazo[4,5-c]pyridazin-3-yl]methanesulfonamide has a molecular weight of 429.46 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,6-dimethoxyphenyl)-6-(5-methylfuran-2-yl)imidazo[4,5-c]pyridazin-3-yl]methanesulfonamide is sourced from PubChem (CID 146509377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).