2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide

C24H21FN6O4S — CID 121075959

IUPAC2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C(C)n3nc(-c4ccc(F)cc4)ccc3=O)cc2)n1
InChIInChI=1S/C24H21FN6O4S/c1-15-13-14-26-24(27-15)30-36(34,35)20-9-7-19(8-10-20)28-23(33)16(2)31-22(32)12-11-21(29-31)17-3-5-18(25)6-4-17/h3-14,16H,1-2H3,(H,28,33)(H,26,27,30)
InChIKeySPSRTCARWVYNOI-UHFFFAOYSA-N
MW508.54 g/mol
LogP3.15
Rot. Bonds7

About 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide

2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide (PubChem CID 121075959) has the molecular formula C24H21FN6O4S and a molecular weight of 508.54 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
PubChem CID121075959
Molecular FormulaC24H21FN6O4S
Molecular Weight508.54 g/mol
Exact Mass508.13
IUPAC Name2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C(C)n3nc(-c4ccc(F)cc4)ccc3=O)cc2)n1
InChIInChI=1S/C24H21FN6O4S/c1-15-13-14-26-24(27-15)30-36(34,35)20-9-7-19(8-10-20)28-23(33)16(2)31-22(32)12-11-21(29-31)17-3-5-18(25)6-4-17/h3-14,16H,1-2H3,(H,28,33)(H,26,27,30)
InChIKeySPSRTCARWVYNOI-UHFFFAOYSA-N
XLogP3.15
TPSA135.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.54
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide
CID 121075957
(2R)-2-(4-methylphenyl)sulfanyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 94012347
(2R)-N-(4-fluorophenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 92735719
2-(5-methylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 19537212
2-(4-methyl-N-methylsulfonylanilino)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 46763491
N-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide
CID 121075835
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide
CID 121076138
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxypropanamide
CID 3145073
(2S)-2-(2-ethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 28570993
(2R)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylbutanamide
CID 1273275
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 19538080
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 19532404

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide (CID 121075959) is 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C(C)n3nc(-c4ccc(F)cc4)ccc3=O)cc2)n1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?
The InChIKey is SPSRTCARWVYNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O4S/c1-15-13-14-26-24(27-15)30-36(34,35)20-9-7-19(8-10-20)28-23(33)16(2)31-22(32)12-11-21(29-31)17-3-5-18(25)6-4-17/h3-14,16H,1-2H3,(H,28,33)(H,26,27,30).
What are the key properties of 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide has a molecular weight of 508.54 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 121075959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).