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

C57H66Cl2N10O10S2 — CID 158163759

IUPACN-[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
SMILESCC(=O)N(C)c1ccc(CS(=O)(=O)N2CCN(c3cnn(-c4cccc(Cl)c4)c(=O)c3OCC3(C)CC3)CC2)cc1.CC(=O)Nc1ccc(CS(=O)(=O)N2CCN(c3cnn(-c4cccc(Cl)c4)c(=O)c3OCC3(C)CC3)CC2)cc1
InChIInChI=1S/C29H34ClN5O5S.C28H32ClN5O5S/c1-21(36)32(3)24-9-7-22(8-10-24)19-41(38,39)34-15-13-33(14-16-34)26-18-31-35(25-6-4-5-23(30)17-25)28(37)27(26)40-20-29(2)11-12-29;1-20(35)31-23-8-6-21(7-9-23)18-40(37,38)33-14-12-32(13-15-33)25-17-30-34(24-5-3-4-22(29)16-24)27(36)26(25)39-19-28(2)10-11-28/h4-10,17-18H,11-16,19-20H2,1-3H3;3-9,16-17H,10-15,18-19H2,1-2H3,(H,31,35)
InChIKeyFWPAKIQGXGJZSI-UHFFFAOYSA-N
MW1186.25 g/mol
LogP7.37
Rot. Bonds18

About 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

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 (PubChem CID 158163759) has the molecular formula C57H66Cl2N10O10S2 and a molecular weight of 1186.25 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID158163759
Molecular FormulaC57H66Cl2N10O10S2
Molecular Weight1186.25 g/mol
Exact Mass1184.38
IUPAC NameN-[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
SMILESCC(=O)N(C)c1ccc(CS(=O)(=O)N2CCN(c3cnn(-c4cccc(Cl)c4)c(=O)c3OCC3(C)CC3)CC2)cc1.CC(=O)Nc1ccc(CS(=O)(=O)N2CCN(c3cnn(-c4cccc(Cl)c4)c(=O)c3OCC3(C)CC3)CC2)cc1
InChIInChI=1S/C29H34ClN5O5S.C28H32ClN5O5S/c1-21(36)32(3)24-9-7-22(8-10-24)19-41(38,39)34-15-13-33(14-16-34)26-18-31-35(25-6-4-5-23(30)17-25)28(37)27(26)40-20-29(2)11-12-29;1-20(35)31-23-8-6-21(7-9-23)18-40(37,38)33-14-12-32(13-15-33)25-17-30-34(24-5-3-4-22(29)16-24)27(36)26(25)39-19-28(2)10-11-28/h4-10,17-18H,11-16,19-20H2,1-3H3;3-9,16-17H,10-15,18-19H2,1-2H3,(H,31,35)
InChIKeyFWPAKIQGXGJZSI-UHFFFAOYSA-N
XLogP7.37
TPSA218.89 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001186.25
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 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 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
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-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
5-[4-[(5-amino-2-fluorophenyl)methylsulfonyl]piperazin-1-yl]-2-(3-chlorophenyl)-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one
CID 25069875
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
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)-4-cyclopentyloxy-5-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]pyridazin-3-one
CID 54585687
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
4-[1-(3,5-difluorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-sulfonamide
CID 25072102
2-(3-ethenylphenyl)-4-[(1-methylcyclopropyl)methoxy]-5-piperazin-1-ylpyridazin-3-one
CID 145478723

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N(C)c1ccc(CS(=O)(=O)N2CCN(c3cnn(-c4cccc(Cl)c4)c(=O)c3OCC3(C)CC3)CC2)cc1.CC(=O)Nc1ccc(CS(=O)(=O)N2CCN(c3cnn(-c4cccc(Cl)c4)c(=O)c3OCC3(C)CC3)CC2)cc1.
What is the InChIKey of 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?
The InChIKey is FWPAKIQGXGJZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34ClN5O5S.C28H32ClN5O5S/c1-21(36)32(3)24-9-7-22(8-10-24)19-41(38,39)34-15-13-33(14-16-34)26-18-31-35(25-6-4-5-23(30)17-25)28(37)27(26)40-20-29(2)11-12-29;1-20(35)31-23-8-6-21(7-9-23)18-40(37,38)33-14-12-32(13-15-33)25-17-30-34(24-5-3-4-22(29)16-24)27(36)26(25)39-19-28(2)10-11-28/h4-10,17-18H,11-16,19-20H2,1-3H3;3-9,16-17H,10-15,18-19H2,1-2H3,(H,31,35).
What are the key properties of 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?
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 has a molecular weight of 1186.25 g/mol, XLogP of 7.37, 18 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158163759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).