tris(1-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);bis(1-(4-chloro-3-fluorophenyl)-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one)

C169H194Cl5F11N32O11 — CID 158174724

IUPACtris(1-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);bis(1-(4-chloro-3-fluorophenyl)-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one)
SMILESCc1ccc(N2CCN(C3CCN(Cc4ccc(C)c(F)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(Cc4ccc(C)c(F)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(Cc4ccc(C)c(F)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(c4ccc(Cl)c(F)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(c4ccc(Cl)c(F)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(c4ccc(OC(F)F)c(Cl)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(c4ccc(OC(F)F)c(Cl)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(c4ccc(OC(F)F)c(Cl)c4)C3=O)CC2)nc1
InChIInChI=1S/3C22H27FN4O.3C21H23ClF2N4O2.2C20H22ClFN4O/c3*1-16-3-6-21(24-14-16)26-11-9-25(10-12-26)20-7-8-27(22(20)28)15-18-5-4-17(2)19(23)13-18;3*1-14-2-5-19(25-13-14)27-10-8-26(9-11-27)17-6-7-28(20(17)29)15-3-4-18(16(22)12-15)30-21(23)24;2*1-14-2-5-19(23-13-14)25-10-8-24(9-11-25)18-6-7-26(20(18)27)15-3-4-16(21)17(22)12-15/h3*3-6,13-14,20H,7-12,15H2,1-2H3;3*2-5,12-13,17,21H,6-11H2,1H3;2*2-5,12-13,18H,6-11H2,1H3
InChIKeyFXWFWXLLEIVMFG-UHFFFAOYSA-N
MW3235.87 g/mol
LogP25.22
Rot. Bonds33

About tris(1-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);bis(1-(4-chloro-3-fluorophenyl)-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one)

tris(1-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);bis(1-(4-chloro-3-fluorophenyl)-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one) (PubChem CID 158174724) has the molecular formula C169H194Cl5F11N32O11 and a molecular weight of 3235.87 g/mol. Its IUPAC name is tris(1-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);bis(1-(4-chloro-3-fluorophenyl)-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one).

Molecular Properties

Compound Nametris(1-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);bis(1-(4-chloro-3-fluorophenyl)-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one)
PubChem CID158174724
Molecular FormulaC169H194Cl5F11N32O11
Molecular Weight3235.87 g/mol
Exact Mass3231.39
IUPAC Nametris(1-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);bis(1-(4-chloro-3-fluorophenyl)-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one)
SMILESCc1ccc(N2CCN(C3CCN(Cc4ccc(C)c(F)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(Cc4ccc(C)c(F)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(Cc4ccc(C)c(F)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(c4ccc(Cl)c(F)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(c4ccc(Cl)c(F)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(c4ccc(OC(F)F)c(Cl)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(c4ccc(OC(F)F)c(Cl)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(c4ccc(OC(F)F)c(Cl)c4)C3=O)CC2)nc1
InChIInChI=1S/3C22H27FN4O.3C21H23ClF2N4O2.2C20H22ClFN4O/c3*1-16-3-6-21(24-14-16)26-11-9-25(10-12-26)20-7-8-27(22(20)28)15-18-5-4-17(2)19(23)13-18;3*1-14-2-5-19(25-13-14)27-10-8-26(9-11-27)17-6-7-28(20(17)29)15-3-4-18(16(22)12-15)30-21(23)24;2*1-14-2-5-19(23-13-14)25-10-8-24(9-11-25)18-6-7-26(20(18)27)15-3-4-16(21)17(22)12-15/h3*3-6,13-14,20H,7-12,15H2,1-2H3;3*2-5,12-13,17,21H,6-11H2,1H3;2*2-5,12-13,18H,6-11H2,1H3
InChIKeyFXWFWXLLEIVMFG-UHFFFAOYSA-N
XLogP25.22
TPSA345.13 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds33
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003235.87
LogP ≤ 525.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze tris(1-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);bis(1-(4-chloro-3-fluorophenyl)-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one) with MolForge

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Related Compounds

(2S)-N-(4-chlorophenyl)-3-(3,5-difluorophenyl)-2-(2,3-dihydropyrrolo[2,3-b]pyridin-1-ylsulfonylcarbamoylamino)-N-methylpropanamide;(2S)-N-(4-cyclopropylphenyl)-3-(3,5-difluorophenyl)-2-(2,3-dihydropyrrolo[2,3-b]pyridin-1-ylsulfonylcarbamoylamino)-N-methylpropanamide;bis((2S)-3-(3,5-difluorophenyl)-2-(2,3-dihydropyrrolo[2,3-b]pyridin-1-ylsulfonylcarbamoylamino)-N-(4-ethylphenyl)-N-methylpropanamide);(2S)-3-(3,5-difluorophenyl)-2-(2,3-dihydropyrrolo[2,3-b]pyridin-1-ylsulfonylcarbamoylamino)-N-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 159761551
1-(4-chloro-3-fluorophenyl)-3-[(1S,4S)-5-(5-hydroxy-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrrolidin-2-one;1-(4-chloro-3-fluorophenyl)-3-[(1S,4S)-5-(5-phenylmethoxy-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrrolidin-2-one
CID 158921039
(3R)-1-(4-chloro-3-fluorophenyl)-3-[(1S,4S)-5-(5-hydroxy-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrrolidin-2-one;(3R)-1-(4-chloro-3-fluorophenyl)-3-[(1S,4S)-5-(5-phenylmethoxy-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrrolidin-2-one
CID 158921040
Tris(1-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);1-(4-chloro-3-fluorophenyl)-3-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrrolidin-2-one;bis(1-(3-fluoro-4-methylphenyl)-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);tris(1-[(4-fluorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);bis(1-[(4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);1-[(4-methylphenyl)methyl]-3-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrrolidin-2-one
CID 158976898

Frequently Asked Questions

What is the IUPAC name of tris(1-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);bis(1-(4-chloro-3-fluorophenyl)-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one)?
The IUPAC name of tris(1-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);bis(1-(4-chloro-3-fluorophenyl)-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one) (CID 158174724) is tris(1-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);bis(1-(4-chloro-3-fluorophenyl)-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one).
What is the SMILES notation for tris(1-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);bis(1-(4-chloro-3-fluorophenyl)-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one)?
The canonical SMILES for tris(1-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);bis(1-(4-chloro-3-fluorophenyl)-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one) is Cc1ccc(N2CCN(C3CCN(Cc4ccc(C)c(F)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(Cc4ccc(C)c(F)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(Cc4ccc(C)c(F)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(c4ccc(Cl)c(F)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(c4ccc(Cl)c(F)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(c4ccc(OC(F)F)c(Cl)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(c4ccc(OC(F)F)c(Cl)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(c4ccc(OC(F)F)c(Cl)c4)C3=O)CC2)nc1.
What is the InChIKey of tris(1-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);bis(1-(4-chloro-3-fluorophenyl)-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one)?
The InChIKey is FXWFWXLLEIVMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C22H27FN4O.3C21H23ClF2N4O2.2C20H22ClFN4O/c3*1-16-3-6-21(24-14-16)26-11-9-25(10-12-26)20-7-8-27(22(20)28)15-18-5-4-17(2)19(23)13-18;3*1-14-2-5-19(25-13-14)27-10-8-26(9-11-27)17-6-7-28(20(17)29)15-3-4-18(16(22)12-15)30-21(23)24;2*1-14-2-5-19(23-13-14)25-10-8-24(9-11-25)18-6-7-26(20(18)27)15-3-4-16(21)17(22)12-15/h3*3-6,13-14,20H,7-12,15H2,1-2H3;3*2-5,12-13,17,21H,6-11H2,1H3;2*2-5,12-13,18H,6-11H2,1H3.
What are the key properties of tris(1-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);bis(1-(4-chloro-3-fluorophenyl)-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one)?
tris(1-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);bis(1-(4-chloro-3-fluorophenyl)-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one) has a molecular weight of 3235.87 g/mol, XLogP of 25.22, 33 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);bis(1-(4-chloro-3-fluorophenyl)-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one) is sourced from PubChem (CID 158174724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).