N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide

C23H23FN4O5S — CID 42278901

IUPACN-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3nn(-c4ccc(F)cc4)ccc3=O)cc2)C[C@@H](C)O1
InChIInChI=1S/C23H23FN4O5S/c1-15-13-27(14-16(2)33-15)34(31,32)20-9-5-18(6-10-20)25-23(30)22-21(29)11-12-28(26-22)19-7-3-17(24)4-8-19/h3-12,15-16H,13-14H2,1-2H3,(H,25,30)/t15-,16-/m1/s1
InChIKeyHLWNUKBRTUBTMW-HZPDHXFCSA-N
MW486.53 g/mol
LogP2.42
Rot. Bonds5

About N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide

N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide (PubChem CID 42278901) has the molecular formula C23H23FN4O5S and a molecular weight of 486.53 g/mol. Its IUPAC name is N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide
PubChem CID42278901
Molecular FormulaC23H23FN4O5S
Molecular Weight486.53 g/mol
Exact Mass486.14
IUPAC NameN-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3nn(-c4ccc(F)cc4)ccc3=O)cc2)C[C@@H](C)O1
InChIInChI=1S/C23H23FN4O5S/c1-15-13-27(14-16(2)33-15)34(31,32)20-9-5-18(6-10-20)25-23(30)22-21(29)11-12-28(26-22)19-7-3-17(24)4-8-19/h3-12,15-16H,13-14H2,1-2H3,(H,25,30)/t15-,16-/m1/s1
InChIKeyHLWNUKBRTUBTMW-HZPDHXFCSA-N
XLogP2.42
TPSA110.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide?
The IUPAC name of N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide (CID 42278901) is N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide is C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3nn(-c4ccc(F)cc4)ccc3=O)cc2)C[C@@H](C)O1.
What is the InChIKey of N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide?
The InChIKey is HLWNUKBRTUBTMW-HZPDHXFCSA-N. The full InChI is InChI=1S/C23H23FN4O5S/c1-15-13-27(14-16(2)33-15)34(31,32)20-9-5-18(6-10-20)25-23(30)22-21(29)11-12-28(26-22)19-7-3-17(24)4-8-19/h3-12,15-16H,13-14H2,1-2H3,(H,25,30)/t15-,16-/m1/s1.
What are the key properties of N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide?
N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide has a molecular weight of 486.53 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 42278901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).