(2R)-N-(4-fluorophenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]propanamide

C25H27FN4O4S — CID 92735719

IUPAC(2R)-N-(4-fluorophenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]propanamide
SMILESCc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccc(F)cc3)n2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C25H27FN4O4S/c1-17-6-7-19(16-23(17)35(33,34)29-14-4-3-5-15-29)22-12-13-24(31)30(28-22)18(2)25(32)27-21-10-8-20(26)9-11-21/h6-13,16,18H,3-5,14-15H2,1-2H3,(H,27,32)/t18-/m1/s1
InChIKeyVHTRDGLFOBWFKI-GOSISDBHSA-N
MW498.58 g/mol
LogP3.73
Rot. Bonds6

About (2R)-N-(4-fluorophenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]propanamide

(2R)-N-(4-fluorophenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]propanamide (PubChem CID 92735719) has the molecular formula C25H27FN4O4S and a molecular weight of 498.58 g/mol. Its IUPAC name is (2R)-N-(4-fluorophenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-fluorophenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]propanamide
PubChem CID92735719
Molecular FormulaC25H27FN4O4S
Molecular Weight498.58 g/mol
Exact Mass498.17
IUPAC Name(2R)-N-(4-fluorophenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]propanamide
SMILESCc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccc(F)cc3)n2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C25H27FN4O4S/c1-17-6-7-19(16-23(17)35(33,34)29-14-4-3-5-15-29)22-12-13-24(31)30(28-22)18(2)25(32)27-21-10-8-20(26)9-11-21/h6-13,16,18H,3-5,14-15H2,1-2H3,(H,27,32)/t18-/m1/s1
InChIKeyVHTRDGLFOBWFKI-GOSISDBHSA-N
XLogP3.73
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]-N-phenylpropanamide
CID 50745234
2-[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-one
CID 23611710
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 92627242
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide
CID 121075957
N-(4-ethylphenyl)-2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 23611770
2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 23611786
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 121075959
N-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide
CID 121075835
(2R)-N-(4-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide
CID 27262351
N-(3-methylphenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 23611722
2-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide
CID 46569060
N-[5-[1-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-6-oxopyridazin-3-yl]-2-methylphenyl]-2-methylpropanamide
CID 27260776

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-fluorophenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of (2R)-N-(4-fluorophenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]propanamide (CID 92735719) is (2R)-N-(4-fluorophenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(4-fluorophenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(4-fluorophenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]propanamide is Cc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccc(F)cc3)n2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of (2R)-N-(4-fluorophenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]propanamide?
The InChIKey is VHTRDGLFOBWFKI-GOSISDBHSA-N. The full InChI is InChI=1S/C25H27FN4O4S/c1-17-6-7-19(16-23(17)35(33,34)29-14-4-3-5-15-29)22-12-13-24(31)30(28-22)18(2)25(32)27-21-10-8-20(26)9-11-21/h6-13,16,18H,3-5,14-15H2,1-2H3,(H,27,32)/t18-/m1/s1.
What are the key properties of (2R)-N-(4-fluorophenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]propanamide?
(2R)-N-(4-fluorophenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]propanamide has a molecular weight of 498.58 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-fluorophenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 92735719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).