6-imidazol-1-yl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyridazine-3-carboxamide

C19H16N8O3S — CID 71791757

IUPAC6-imidazol-1-yl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyridazine-3-carboxamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(-n4ccnc4)nn3)cc2)n1
InChIInChI=1S/C19H16N8O3S/c1-13-8-9-21-19(22-13)26-31(29,30)15-4-2-14(3-5-15)23-18(28)16-6-7-17(25-24-16)27-11-10-20-12-27/h2-12H,1H3,(H,23,28)(H,21,22,26)
InChIKeyJGMBNALFROYXSR-UHFFFAOYSA-N
MW436.46 g/mol
LogP1.81
Rot. Bonds6

About 6-imidazol-1-yl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyridazine-3-carboxamide

6-imidazol-1-yl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyridazine-3-carboxamide (PubChem CID 71791757) has the molecular formula C19H16N8O3S and a molecular weight of 436.46 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-imidazol-1-yl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyridazine-3-carboxamide
PubChem CID71791757
Molecular FormulaC19H16N8O3S
Molecular Weight436.46 g/mol
Exact Mass436.11
IUPAC Name6-imidazol-1-yl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyridazine-3-carboxamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(-n4ccnc4)nn3)cc2)n1
InChIInChI=1S/C19H16N8O3S/c1-13-8-9-21-19(22-13)26-31(29,30)15-4-2-14(3-5-15)23-18(28)16-6-7-17(25-24-16)27-11-10-20-12-27/h2-12H,1H3,(H,23,28)(H,21,22,26)
InChIKeyJGMBNALFROYXSR-UHFFFAOYSA-N
XLogP1.81
TPSA144.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 71778513
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide
CID 121027985
1-benzyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-6-oxopyridazine-3-carboxamide
CID 121067015
N-(4-acetylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114037
N-(3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114061
4-tert-butyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1150961
4-iodo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 38011101
4-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-3-carboxamide
CID 154848341
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 16804909
N-(3-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114084
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(pentanoylamino)benzamide;hydrochloride
CID 163328969
6-imidazol-1-yl-N-pyridin-3-ylpyridazine-3-carboxamide
CID 121114046

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-imidazol-1-yl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyridazine-3-carboxamide (CID 71791757) is 6-imidazol-1-yl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-imidazol-1-yl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-imidazol-1-yl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyridazine-3-carboxamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(-n4ccnc4)nn3)cc2)n1.
What is the InChIKey of 6-imidazol-1-yl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyridazine-3-carboxamide?
The InChIKey is JGMBNALFROYXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N8O3S/c1-13-8-9-21-19(22-13)26-31(29,30)15-4-2-14(3-5-15)23-18(28)16-6-7-17(25-24-16)27-11-10-20-12-27/h2-12H,1H3,(H,23,28)(H,21,22,26).
What are the key properties of 6-imidazol-1-yl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyridazine-3-carboxamide?
6-imidazol-1-yl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyridazine-3-carboxamide has a molecular weight of 436.46 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 71791757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).