bis(1-(4-chloro-3-fluorophenyl)-3-[4-(5-methyl-2-pyridinyl)-1,4-diazepan-1-yl]pyrrolidin-2-one);tris(3-[2,2-dimethyl-4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one);tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]piperidin-2-one);1-[(4-fluorophenyl)methyl]-3-[(1S,4S)-5-(5-methyl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrrolidin-2-one;4-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-1-(5-methyl-2-pyridinyl)piperazin-2-one;1-[(4-methylphenyl)methyl]-3-[(1S,4S)-5-(5-methyl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrrolidin-2-one

C249H307Cl2F7N44O12 — CID 158536938

IUPACbis(1-(4-chloro-3-fluorophenyl)-3-[4-(5-methyl-2-pyridinyl)-1,4-diazepan-1-yl]pyrrolidin-2-one);tris(3-[2,2-dimethyl-4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one);tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]piperidin-2-one);1-[(4-fluorophenyl)methyl]-3-[(1S,4S)-5-(5-methyl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrrolidin-2-one;4-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-1-(5-methyl-2-pyridinyl)piperazin-2-one;1-[(4-methylphenyl)methyl]-3-[(1S,4S)-5-(5-methyl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrrolidin-2-one
SMILESCc1ccc(CN2CCC(N3CCN(c4ccc(C)cn4)CC3(C)C)C2=O)cc1.Cc1ccc(CN2CCC(N3CCN(c4ccc(C)cn4)CC3(C)C)C2=O)cc1.Cc1ccc(CN2CCC(N3CCN(c4ccc(C)cn4)CC3(C)C)C2=O)cc1.Cc1ccc(CN2CCC(N3C[C@@H]4C[C@H]3CN4c3ccc(C)cn3)C2=O)cc1.Cc1ccc(N2CCCN(C3CCN(c4ccc(Cl)c(F)c4)C3=O)CC2)nc1.Cc1ccc(N2CCCN(C3CCN(c4ccc(Cl)c(F)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCCN(Cc4ccc(C)c(F)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCCN(Cc4ccc(C)c(F)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCCN(Cc4ccc(C)c(F)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(Cc4ccc(F)cc4)C3=O)CC2=O)nc1.Cc1ccc(N2C[C@@H]3C[C@H]2CN3C2CCN(Cc3ccc(F)cc3)C2=O)nc1
InChIInChI=1S/3C24H32N4O.3C23H29FN4O.C23H28N4O.C22H25FN4O.2C21H24ClFN4O.C21H23FN4O2/c3*1-18-5-8-20(9-6-18)16-26-12-11-21(23(26)29)28-14-13-27(17-24(28,3)4)22-10-7-19(2)15-25-22;3*1-17-5-8-22(25-15-17)27-12-10-26(11-13-27)21-4-3-9-28(23(21)29)16-19-7-6-18(2)20(24)14-19;1-16-3-6-18(7-4-16)13-25-10-9-21(23(25)28)26-14-20-11-19(26)15-27(20)22-8-5-17(2)12-24-22;1-15-2-7-21(24-11-15)27-14-18-10-19(27)13-26(18)20-8-9-25(22(20)28)12-16-3-5-17(23)6-4-16;2*1-15-3-6-20(24-14-15)26-9-2-8-25(11-12-26)19-7-10-27(21(19)28)16-4-5-17(22)18(23)13-16;1-15-2-7-19(23-12-15)26-11-10-24(14-20(26)27)18-8-9-25(21(18)28)13-16-3-5-17(22)6-4-16/h3*5-10,15,21H,11-14,16-17H2,1-4H3;3*5-8,14-15,21H,3-4,9-13,16H2,1-2H3;3-8,12,19-21H,9-11,13-15H2,1-2H3;2-7,11,18-20H,8-10,12-14H2,1H3;2*3-6,13-14,19H,2,7-12H2,1H3;2-7,12,18H,8-11,13-14H2,1H3/t;;;;;;19-,20-,21?;18-,19-,20?;;;/m......00.../s1
InChIKeyHOBBNNVJPGWPJX-NPNGJYJLSA-N
MW4312.38 g/mol
LogP33.99
Rot. Bonds42

About bis(1-(4-chloro-3-fluorophenyl)-3-[4-(5-methyl-2-pyridinyl)-1,4-diazepan-1-yl]pyrrolidin-2-one);tris(3-[2,2-dimethyl-4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one);tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]piperidin-2-one);1-[(4-fluorophenyl)methyl]-3-[(1S,4S)-5-(5-methyl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrrolidin-2-one;4-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-1-(5-methyl-2-pyridinyl)piperazin-2-one;1-[(4-methylphenyl)methyl]-3-[(1S,4S)-5-(5-methyl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrrolidin-2-one

bis(1-(4-chloro-3-fluorophenyl)-3-[4-(5-methyl-2-pyridinyl)-1,4-diazepan-1-yl]pyrrolidin-2-one);tris(3-[2,2-dimethyl-4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one);tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]piperidin-2-one);1-[(4-fluorophenyl)methyl]-3-[(1S,4S)-5-(5-methyl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrrolidin-2-one;4-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-1-(5-methyl-2-pyridinyl)piperazin-2-one;1-[(4-methylphenyl)methyl]-3-[(1S,4S)-5-(5-methyl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrrolidin-2-one (PubChem CID 158536938) has the molecular formula C249H307Cl2F7N44O12 and a molecular weight of 4312.38 g/mol. Its IUPAC name is bis(1-(4-chloro-3-fluorophenyl)-3-[4-(5-methyl-2-pyridinyl)-1,4-diazepan-1-yl]pyrrolidin-2-one);tris(3-[2,2-dimethyl-4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one);tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]piperidin-2-one);1-[(4-fluorophenyl)methyl]-3-[(1S,4S)-5-(5-methyl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrrolidin-2-one;4-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-1-(5-methyl-2-pyridinyl)piperazin-2-one;1-[(4-methylphenyl)methyl]-3-[(1S,4S)-5-(5-methyl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Namebis(1-(4-chloro-3-fluorophenyl)-3-[4-(5-methyl-2-pyridinyl)-1,4-diazepan-1-yl]pyrrolidin-2-one);tris(3-[2,2-dimethyl-4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one);tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]piperidin-2-one);1-[(4-fluorophenyl)methyl]-3-[(1S,4S)-5-(5-methyl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrrolidin-2-one;4-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-1-(5-methyl-2-pyridinyl)piperazin-2-one;1-[(4-methylphenyl)methyl]-3-[(1S,4S)-5-(5-methyl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrrolidin-2-one
PubChem CID158536938
Molecular FormulaC249H307Cl2F7N44O12
Molecular Weight4312.38 g/mol
Exact Mass4308.40
IUPAC Namebis(1-(4-chloro-3-fluorophenyl)-3-[4-(5-methyl-2-pyridinyl)-1,4-diazepan-1-yl]pyrrolidin-2-one);tris(3-[2,2-dimethyl-4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one);tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]piperidin-2-one);1-[(4-fluorophenyl)methyl]-3-[(1S,4S)-5-(5-methyl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrrolidin-2-one;4-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-1-(5-methyl-2-pyridinyl)piperazin-2-one;1-[(4-methylphenyl)methyl]-3-[(1S,4S)-5-(5-methyl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrrolidin-2-one
SMILESCc1ccc(CN2CCC(N3CCN(c4ccc(C)cn4)CC3(C)C)C2=O)cc1.Cc1ccc(CN2CCC(N3CCN(c4ccc(C)cn4)CC3(C)C)C2=O)cc1.Cc1ccc(CN2CCC(N3CCN(c4ccc(C)cn4)CC3(C)C)C2=O)cc1.Cc1ccc(CN2CCC(N3C[C@@H]4C[C@H]3CN4c3ccc(C)cn3)C2=O)cc1.Cc1ccc(N2CCCN(C3CCN(c4ccc(Cl)c(F)c4)C3=O)CC2)nc1.Cc1ccc(N2CCCN(C3CCN(c4ccc(Cl)c(F)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCCN(Cc4ccc(C)c(F)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCCN(Cc4ccc(C)c(F)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCCN(Cc4ccc(C)c(F)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(Cc4ccc(F)cc4)C3=O)CC2=O)nc1.Cc1ccc(N2C[C@@H]3C[C@H]2CN3C2CCN(Cc3ccc(F)cc3)C2=O)nc1
InChIInChI=1S/3C24H32N4O.3C23H29FN4O.C23H28N4O.C22H25FN4O.2C21H24ClFN4O.C21H23FN4O2/c3*1-18-5-8-20(9-6-18)16-26-12-11-21(23(26)29)28-14-13-27(17-24(28,3)4)22-10-7-19(2)15-25-22;3*1-17-5-8-22(25-15-17)27-12-10-26(11-13-27)21-4-3-9-28(23(21)29)16-19-7-6-18(2)20(24)14-19;1-16-3-6-18(7-4-16)13-25-10-9-21(23(25)28)26-14-20-11-19(26)15-27(20)22-8-5-17(2)12-24-22;1-15-2-7-21(24-11-15)27-14-18-10-19(27)13-26(18)20-8-9-25(22(20)28)12-16-3-5-17(23)6-4-16;2*1-15-3-6-20(24-14-15)26-9-2-8-25(11-12-26)19-7-10-27(21(19)28)16-4-5-17(22)18(23)13-16;1-15-2-7-19(23-12-15)26-11-10-24(14-20(26)27)18-8-9-25(21(18)28)13-16-3-5-17(22)6-4-16/h3*5-10,15,21H,11-14,16-17H2,1-4H3;3*5-8,14-15,21H,3-4,9-13,16H2,1-2H3;3-8,12,19-21H,9-11,13-15H2,1-2H3;2-7,11,18-20H,8-10,12-14H2,1H3;2*3-6,13-14,19H,2,7-12H2,1H3;2-7,12,18H,8-11,13-14H2,1H3/t;;;;;;19-,20-,21?;18-,19-,20?;;;/m......00.../s1
InChIKeyHOBBNNVJPGWPJX-NPNGJYJLSA-N
XLogP33.99
TPSA453.55 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds42
Heavy Atoms314
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004312.38
LogP ≤ 533.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

Analyze bis(1-(4-chloro-3-fluorophenyl)-3-[4-(5-methyl-2-pyridinyl)-1,4-diazepan-1-yl]pyrrolidin-2-one);tris(3-[2,2-dimethyl-4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one);tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]piperidin-2-one);1-[(4-fluorophenyl)methyl]-3-[(1S,4S)-5-(5-methyl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrrolidin-2-one;4-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-1-(5-methyl-2-pyridinyl)piperazin-2-one;1-[(4-methylphenyl)methyl]-3-[(1S,4S)-5-(5-methyl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(1-(4-chloro-3-fluorophenyl)-3-[4-(5-methyl-2-pyridinyl)-1,4-diazepan-1-yl]pyrrolidin-2-one);tris(3-[2,2-dimethyl-4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one);tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]piperidin-2-one);1-[(4-fluorophenyl)methyl]-3-[(1S,4S)-5-(5-methyl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrrolidin-2-one;4-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-1-(5-methyl-2-pyridinyl)piperazin-2-one;1-[(4-methylphenyl)methyl]-3-[(1S,4S)-5-(5-methyl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrrolidin-2-one?
The IUPAC name of bis(1-(4-chloro-3-fluorophenyl)-3-[4-(5-methyl-2-pyridinyl)-1,4-diazepan-1-yl]pyrrolidin-2-one);tris(3-[2,2-dimethyl-4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one);tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]piperidin-2-one);1-[(4-fluorophenyl)methyl]-3-[(1S,4S)-5-(5-methyl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrrolidin-2-one;4-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-1-(5-methyl-2-pyridinyl)piperazin-2-one;1-[(4-methylphenyl)methyl]-3-[(1S,4S)-5-(5-methyl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrrolidin-2-one (CID 158536938) is bis(1-(4-chloro-3-fluorophenyl)-3-[4-(5-methyl-2-pyridinyl)-1,4-diazepan-1-yl]pyrrolidin-2-one);tris(3-[2,2-dimethyl-4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one);tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]piperidin-2-one);1-[(4-fluorophenyl)methyl]-3-[(1S,4S)-5-(5-methyl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrrolidin-2-one;4-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-1-(5-methyl-2-pyridinyl)piperazin-2-one;1-[(4-methylphenyl)methyl]-3-[(1S,4S)-5-(5-methyl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for bis(1-(4-chloro-3-fluorophenyl)-3-[4-(5-methyl-2-pyridinyl)-1,4-diazepan-1-yl]pyrrolidin-2-one);tris(3-[2,2-dimethyl-4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one);tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]piperidin-2-one);1-[(4-fluorophenyl)methyl]-3-[(1S,4S)-5-(5-methyl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrrolidin-2-one;4-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-1-(5-methyl-2-pyridinyl)piperazin-2-one;1-[(4-methylphenyl)methyl]-3-[(1S,4S)-5-(5-methyl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrrolidin-2-one?
The canonical SMILES for bis(1-(4-chloro-3-fluorophenyl)-3-[4-(5-methyl-2-pyridinyl)-1,4-diazepan-1-yl]pyrrolidin-2-one);tris(3-[2,2-dimethyl-4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one);tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]piperidin-2-one);1-[(4-fluorophenyl)methyl]-3-[(1S,4S)-5-(5-methyl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrrolidin-2-one;4-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-1-(5-methyl-2-pyridinyl)piperazin-2-one;1-[(4-methylphenyl)methyl]-3-[(1S,4S)-5-(5-methyl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrrolidin-2-one is Cc1ccc(CN2CCC(N3CCN(c4ccc(C)cn4)CC3(C)C)C2=O)cc1.Cc1ccc(CN2CCC(N3CCN(c4ccc(C)cn4)CC3(C)C)C2=O)cc1.Cc1ccc(CN2CCC(N3CCN(c4ccc(C)cn4)CC3(C)C)C2=O)cc1.Cc1ccc(CN2CCC(N3C[C@@H]4C[C@H]3CN4c3ccc(C)cn3)C2=O)cc1.Cc1ccc(N2CCCN(C3CCN(c4ccc(Cl)c(F)c4)C3=O)CC2)nc1.Cc1ccc(N2CCCN(C3CCN(c4ccc(Cl)c(F)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCCN(Cc4ccc(C)c(F)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCCN(Cc4ccc(C)c(F)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCCN(Cc4ccc(C)c(F)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(Cc4ccc(F)cc4)C3=O)CC2=O)nc1.Cc1ccc(N2C[C@@H]3C[C@H]2CN3C2CCN(Cc3ccc(F)cc3)C2=O)nc1.
What is the InChIKey of bis(1-(4-chloro-3-fluorophenyl)-3-[4-(5-methyl-2-pyridinyl)-1,4-diazepan-1-yl]pyrrolidin-2-one);tris(3-[2,2-dimethyl-4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one);tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]piperidin-2-one);1-[(4-fluorophenyl)methyl]-3-[(1S,4S)-5-(5-methyl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrrolidin-2-one;4-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-1-(5-methyl-2-pyridinyl)piperazin-2-one;1-[(4-methylphenyl)methyl]-3-[(1S,4S)-5-(5-methyl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrrolidin-2-one?
The InChIKey is HOBBNNVJPGWPJX-NPNGJYJLSA-N. The full InChI is InChI=1S/3C24H32N4O.3C23H29FN4O.C23H28N4O.C22H25FN4O.2C21H24ClFN4O.C21H23FN4O2/c3*1-18-5-8-20(9-6-18)16-26-12-11-21(23(26)29)28-14-13-27(17-24(28,3)4)22-10-7-19(2)15-25-22;3*1-17-5-8-22(25-15-17)27-12-10-26(11-13-27)21-4-3-9-28(23(21)29)16-19-7-6-18(2)20(24)14-19;1-16-3-6-18(7-4-16)13-25-10-9-21(23(25)28)26-14-20-11-19(26)15-27(20)22-8-5-17(2)12-24-22;1-15-2-7-21(24-11-15)27-14-18-10-19(27)13-26(18)20-8-9-25(22(20)28)12-16-3-5-17(23)6-4-16;2*1-15-3-6-20(24-14-15)26-9-2-8-25(11-12-26)19-7-10-27(21(19)28)16-4-5-17(22)18(23)13-16;1-15-2-7-19(23-12-15)26-11-10-24(14-20(26)27)18-8-9-25(21(18)28)13-16-3-5-17(22)6-4-16/h3*5-10,15,21H,11-14,16-17H2,1-4H3;3*5-8,14-15,21H,3-4,9-13,16H2,1-2H3;3-8,12,19-21H,9-11,13-15H2,1-2H3;2-7,11,18-20H,8-10,12-14H2,1H3;2*3-6,13-14,19H,2,7-12H2,1H3;2-7,12,18H,8-11,13-14H2,1H3/t;;;;;;19-,20-,21?;18-,19-,20?;;;/m......00.../s1.
What are the key properties of bis(1-(4-chloro-3-fluorophenyl)-3-[4-(5-methyl-2-pyridinyl)-1,4-diazepan-1-yl]pyrrolidin-2-one);tris(3-[2,2-dimethyl-4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one);tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]piperidin-2-one);1-[(4-fluorophenyl)methyl]-3-[(1S,4S)-5-(5-methyl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrrolidin-2-one;4-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-1-(5-methyl-2-pyridinyl)piperazin-2-one;1-[(4-methylphenyl)methyl]-3-[(1S,4S)-5-(5-methyl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrrolidin-2-one?
bis(1-(4-chloro-3-fluorophenyl)-3-[4-(5-methyl-2-pyridinyl)-1,4-diazepan-1-yl]pyrrolidin-2-one);tris(3-[2,2-dimethyl-4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one);tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]piperidin-2-one);1-[(4-fluorophenyl)methyl]-3-[(1S,4S)-5-(5-methyl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrrolidin-2-one;4-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-1-(5-methyl-2-pyridinyl)piperazin-2-one;1-[(4-methylphenyl)methyl]-3-[(1S,4S)-5-(5-methyl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrrolidin-2-one has a molecular weight of 4312.38 g/mol, XLogP of 33.99, 42 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-(4-chloro-3-fluorophenyl)-3-[4-(5-methyl-2-pyridinyl)-1,4-diazepan-1-yl]pyrrolidin-2-one);tris(3-[2,2-dimethyl-4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one);tris(1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]piperidin-2-one);1-[(4-fluorophenyl)methyl]-3-[(1S,4S)-5-(5-methyl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrrolidin-2-one;4-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-1-(5-methyl-2-pyridinyl)piperazin-2-one;1-[(4-methylphenyl)methyl]-3-[(1S,4S)-5-(5-methyl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 158536938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).