2-(3-chlorophenyl)-5-[4-[[3-(2-hydroxypropylamino)phenyl]methylsulfonyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one;3-[3-[[4-[1-(3-chlorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]piperazin-1-yl]sulfonylmethyl]phenyl]-5-methyl-1,3-oxazolidin-2-one

C59H70Cl2N10O11S2 — CID 159444803

IUPAC2-(3-chlorophenyl)-5-[4-[[3-(2-hydroxypropylamino)phenyl]methylsulfonyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one;3-[3-[[4-[1-(3-chlorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]piperazin-1-yl]sulfonylmethyl]phenyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCC(O)CNc1cccc(CS(=O)(=O)N2CCN(c3cnn(-c4cccc(Cl)c4)c(=O)c3OCC3(C)CC3)CC2)c1.CC1CN(c2cccc(CS(=O)(=O)N3CCN(c4cnn(-c5cccc(Cl)c5)c(=O)c4OCC4(C)CC4)CC3)c2)C(=O)O1
InChIInChI=1S/C30H34ClN5O6S.C29H36ClN5O5S/c1-21-18-35(29(38)42-21)24-7-3-5-22(15-24)19-43(39,40)34-13-11-33(12-14-34)26-17-32-36(25-8-4-6-23(31)16-25)28(37)27(26)41-20-30(2)9-10-30;1-21(36)17-31-24-7-3-5-22(15-24)19-41(38,39)34-13-11-33(12-14-34)26-18-32-35(25-8-4-6-23(30)16-25)28(37)27(26)40-20-29(2)9-10-29/h3-8,15-17,21H,9-14,18-20H2,1-2H3;3-8,15-16,18,21,31,36H,9-14,17,19-20H2,1-2H3
InChIKeyLSPZQPVLLVKFGK-UHFFFAOYSA-N
MW1230.31 g/mol
LogP7.57
Rot. Bonds20

About 2-(3-chlorophenyl)-5-[4-[[3-(2-hydroxypropylamino)phenyl]methylsulfonyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one;3-[3-[[4-[1-(3-chlorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]piperazin-1-yl]sulfonylmethyl]phenyl]-5-methyl-1,3-oxazolidin-2-one

2-(3-chlorophenyl)-5-[4-[[3-(2-hydroxypropylamino)phenyl]methylsulfonyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one;3-[3-[[4-[1-(3-chlorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]piperazin-1-yl]sulfonylmethyl]phenyl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 159444803) has the molecular formula C59H70Cl2N10O11S2 and a molecular weight of 1230.31 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-[4-[[3-(2-hydroxypropylamino)phenyl]methylsulfonyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one;3-[3-[[4-[1-(3-chlorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]piperazin-1-yl]sulfonylmethyl]phenyl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-[4-[[3-(2-hydroxypropylamino)phenyl]methylsulfonyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one;3-[3-[[4-[1-(3-chlorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]piperazin-1-yl]sulfonylmethyl]phenyl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID159444803
Molecular FormulaC59H70Cl2N10O11S2
Molecular Weight1230.31 g/mol
Exact Mass1228.40
IUPAC Name2-(3-chlorophenyl)-5-[4-[[3-(2-hydroxypropylamino)phenyl]methylsulfonyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one;3-[3-[[4-[1-(3-chlorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]piperazin-1-yl]sulfonylmethyl]phenyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCC(O)CNc1cccc(CS(=O)(=O)N2CCN(c3cnn(-c4cccc(Cl)c4)c(=O)c3OCC3(C)CC3)CC2)c1.CC1CN(c2cccc(CS(=O)(=O)N3CCN(c4cnn(-c5cccc(Cl)c5)c(=O)c4OCC4(C)CC4)CC3)c2)C(=O)O1
InChIInChI=1S/C30H34ClN5O6S.C29H36ClN5O5S/c1-21-18-35(29(38)42-21)24-7-3-5-22(15-24)19-43(39,40)34-13-11-33(12-14-34)26-17-32-36(25-8-4-6-23(31)16-25)28(37)27(26)41-20-30(2)9-10-30;1-21(36)17-31-24-7-3-5-22(15-24)19-41(38,39)34-13-11-33(12-14-34)26-18-32-35(25-8-4-6-23(30)16-25)28(37)27(26)40-20-29(2)9-10-29/h3-8,15-17,21H,9-14,18-20H2,1-2H3;3-8,15-16,18,21,31,36H,9-14,17,19-20H2,1-2H3
InChIKeyLSPZQPVLLVKFGK-UHFFFAOYSA-N
XLogP7.57
TPSA231.28 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds20
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001230.31
LogP ≤ 57.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze 2-(3-chlorophenyl)-5-[4-[[3-(2-hydroxypropylamino)phenyl]methylsulfonyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one;3-[3-[[4-[1-(3-chlorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]piperazin-1-yl]sulfonylmethyl]phenyl]-5-methyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

5-[4-[(4-amino-3-methylphenyl)methylsulfonyl]piperazin-1-yl]-2-(3-chlorophenyl)-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one
CID 25074273
2-(3-chlorophenyl)-5-[4-[(3-iodophenyl)methylsulfonyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one;2-(3-chlorophenyl)-4-[(1-methylcyclopropyl)methoxy]-5-[4-[(3-methylsulfonylphenyl)methylsulfonyl]piperazin-1-yl]pyridazin-3-one
CID 162229954
N-[4-[[4-[1-(3-chlorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]piperazin-1-yl]sulfonylmethyl]phenyl]acetamide;N-[4-[[4-[1-(3-chlorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]piperazin-1-yl]sulfonylmethyl]phenyl]-N-methylacetamide
CID 158163759
5-[4-[(5-amino-2-fluorophenyl)methylsulfonyl]piperazin-1-yl]-2-(3-chlorophenyl)-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one
CID 25069875
4-butoxy-5-[4-[(4-butoxyphenyl)methylsulfonyl]piperazin-1-yl]-2-(3-chlorophenyl)pyridazin-3-one;5-[4-[(4-butoxyphenyl)methylsulfonyl]piperazin-1-yl]-2-(3-chlorophenyl)-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one;2-(3-chlorophenyl)-5-[4-[(4-iodophenyl)methylsulfonyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one
CID 161198646
2-(3-chlorophenyl)-5-[4-[3-methoxy-2-(methoxymethyl)propyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one
CID 118350717
2-(3-chlorophenyl)-5-[4-[ethoxy(nitro)phosphoryl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one
CID 145479018
5-[4-[(2-amino-2,3-dihydro-1,3-benzoxazol-5-yl)methylsulfonyl]piperazin-1-yl]-2-(3,5-difluorophenyl)-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one
CID 118350505
5-[4-[(3-amino-4-butoxyphenyl)methylsulfonyl]piperazin-1-yl]-2-(3,5-difluorophenyl)-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one
CID 89169417
2-(3-chlorophenyl)-4-cyclopentyloxy-5-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]pyridazin-3-one
CID 54585687
2-(3-ethenylphenyl)-4-[(1-methylcyclopropyl)methoxy]-5-piperazin-1-ylpyridazin-3-one
CID 145478723
2-(3-chlorophenyl)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)-4-[(1,1,3,3-tetramethyl-2H-inden-2-yl)oxy]pyridazin-3-one;1,1,3,3-tetramethyl-2H-inden-2-ol
CID 159226741

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-[4-[[3-(2-hydroxypropylamino)phenyl]methylsulfonyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one;3-[3-[[4-[1-(3-chlorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]piperazin-1-yl]sulfonylmethyl]phenyl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 2-(3-chlorophenyl)-5-[4-[[3-(2-hydroxypropylamino)phenyl]methylsulfonyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one;3-[3-[[4-[1-(3-chlorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]piperazin-1-yl]sulfonylmethyl]phenyl]-5-methyl-1,3-oxazolidin-2-one (CID 159444803) is 2-(3-chlorophenyl)-5-[4-[[3-(2-hydroxypropylamino)phenyl]methylsulfonyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one;3-[3-[[4-[1-(3-chlorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]piperazin-1-yl]sulfonylmethyl]phenyl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 2-(3-chlorophenyl)-5-[4-[[3-(2-hydroxypropylamino)phenyl]methylsulfonyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one;3-[3-[[4-[1-(3-chlorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]piperazin-1-yl]sulfonylmethyl]phenyl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 2-(3-chlorophenyl)-5-[4-[[3-(2-hydroxypropylamino)phenyl]methylsulfonyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one;3-[3-[[4-[1-(3-chlorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]piperazin-1-yl]sulfonylmethyl]phenyl]-5-methyl-1,3-oxazolidin-2-one is CC(O)CNc1cccc(CS(=O)(=O)N2CCN(c3cnn(-c4cccc(Cl)c4)c(=O)c3OCC3(C)CC3)CC2)c1.CC1CN(c2cccc(CS(=O)(=O)N3CCN(c4cnn(-c5cccc(Cl)c5)c(=O)c4OCC4(C)CC4)CC3)c2)C(=O)O1.
What is the InChIKey of 2-(3-chlorophenyl)-5-[4-[[3-(2-hydroxypropylamino)phenyl]methylsulfonyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one;3-[3-[[4-[1-(3-chlorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]piperazin-1-yl]sulfonylmethyl]phenyl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is LSPZQPVLLVKFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClN5O6S.C29H36ClN5O5S/c1-21-18-35(29(38)42-21)24-7-3-5-22(15-24)19-43(39,40)34-13-11-33(12-14-34)26-17-32-36(25-8-4-6-23(31)16-25)28(37)27(26)41-20-30(2)9-10-30;1-21(36)17-31-24-7-3-5-22(15-24)19-41(38,39)34-13-11-33(12-14-34)26-18-32-35(25-8-4-6-23(30)16-25)28(37)27(26)40-20-29(2)9-10-29/h3-8,15-17,21H,9-14,18-20H2,1-2H3;3-8,15-16,18,21,31,36H,9-14,17,19-20H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-5-[4-[[3-(2-hydroxypropylamino)phenyl]methylsulfonyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one;3-[3-[[4-[1-(3-chlorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]piperazin-1-yl]sulfonylmethyl]phenyl]-5-methyl-1,3-oxazolidin-2-one?
2-(3-chlorophenyl)-5-[4-[[3-(2-hydroxypropylamino)phenyl]methylsulfonyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one;3-[3-[[4-[1-(3-chlorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]piperazin-1-yl]sulfonylmethyl]phenyl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 1230.31 g/mol, XLogP of 7.57, 20 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-[4-[[3-(2-hydroxypropylamino)phenyl]methylsulfonyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one;3-[3-[[4-[1-(3-chlorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]piperazin-1-yl]sulfonylmethyl]phenyl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 159444803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).