1-[4-(1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-ethynylpyrazin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-ethynylpyrazin-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone

C200H218F7N33O10S4 — CID 165069485

IUPAC1-[4-(1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-ethynylpyrazin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-ethynylpyrazin-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone
SMILESC#Cc1cnc(N2CCN(C(=O)Cc3ccc(C4CC4)c(F)c3)CC2)cn1.C#Cc1cnc(N2CCN(C(=O)Cc3ccc(C4CC4)cc3)C(C)C2)cn1.CC(F)(F)c1ccc(N2CCN(C(=O)Cc3ccc(C4CC4)c(F)c3)CC2)nn1.CC1CN(c2ccc(C(C)(F)F)nn2)CCN1C(=O)Cc1ccc(C2CC2)cc1.CC1CN(c2nc3c(F)cccc3s2)CCN1C(=O)Cc1ccc(C2CC2)cc1.CC1CN(c2nc3ccccc3s2)CCN1C(=O)Cc1ccc(C2CC2)cc1.CC1CN(c2nc3cccnc3o2)CCN1C(=O)Cc1ccc(C2CC2)cc1.CC1CN(c2nc3ncccc3s2)CCN1C(=O)Cc1ccc(C2CC2)cc1.Cc1ccc2nc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4)C(C)C3)sc2c1
InChIInChI=1S/C24H27N3OS.C23H24FN3OS.C23H25N3OS.C22H26F2N4O.C22H24N4O2.C22H24N4OS.C22H24N4O.C21H23F3N4O.C21H21FN4O/c1-16-3-10-21-22(13-16)29-24(25-21)26-11-12-27(17(2)15-26)23(28)14-18-4-6-19(7-5-18)20-8-9-20;1-15-14-26(23-25-22-19(24)3-2-4-20(22)29-23)11-12-27(15)21(28)13-16-5-7-17(8-6-16)18-9-10-18;1-16-15-25(23-24-20-4-2-3-5-21(20)28-23)12-13-26(16)22(27)14-17-6-8-18(9-7-17)19-10-11-19;1-15-14-27(20-10-9-19(25-26-20)22(2,23)24)11-12-28(15)21(29)13-16-3-5-17(6-4-16)18-7-8-18;1-15-14-25(22-24-19-3-2-10-23-21(19)28-22)11-12-26(15)20(27)13-16-4-6-17(7-5-16)18-8-9-18;1-15-14-25(22-24-21-19(28-22)3-2-10-23-21)11-12-26(15)20(27)13-16-4-6-17(7-5-16)18-8-9-18;1-3-20-13-24-21(14-23-20)25-10-11-26(16(2)15-25)22(27)12-17-4-6-18(7-5-17)19-8-9-19;1-21(23,24)18-6-7-19(26-25-18)27-8-10-28(11-9-27)20(29)13-14-2-5-16(15-3-4-15)17(22)12-14;1-2-17-13-24-20(14-23-17)25-7-9-26(10-8-25)21(27)12-15-3-6-18(16-4-5-16)19(22)11-15/h3-7,10,13,17,20H,8-9,11-12,14-15H2,1-2H3;2-8,15,18H,9-14H2,1H3;2-9,16,19H,10-15H2,1H3;3-6,9-10,15,18H,7-8,11-14H2,1-2H3;2*2-7,10,15,18H,8-9,11-14H2,1H3;1,4-7,13-14,16,19H,8-12,15H2,2H3;2,5-7,12,15H,3-4,8-11,13H2,1H3;1,3,6,11,13-14,16H,4-5,7-10,12H2
InChIKeySNGQUNUWRGRGJG-UHFFFAOYSA-N
MW3505.42 g/mol
LogP33.26
Rot. Bonds38

About 1-[4-(1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-ethynylpyrazin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-ethynylpyrazin-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone

1-[4-(1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-ethynylpyrazin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-ethynylpyrazin-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone (PubChem CID 165069485) has the molecular formula C200H218F7N33O10S4 and a molecular weight of 3505.42 g/mol. Its IUPAC name is 1-[4-(1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-ethynylpyrazin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-ethynylpyrazin-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-ethynylpyrazin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-ethynylpyrazin-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone
PubChem CID165069485
Molecular FormulaC200H218F7N33O10S4
Molecular Weight3505.42 g/mol
Exact Mass3502.63
IUPAC Name1-[4-(1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-ethynylpyrazin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-ethynylpyrazin-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone
SMILESC#Cc1cnc(N2CCN(C(=O)Cc3ccc(C4CC4)c(F)c3)CC2)cn1.C#Cc1cnc(N2CCN(C(=O)Cc3ccc(C4CC4)cc3)C(C)C2)cn1.CC(F)(F)c1ccc(N2CCN(C(=O)Cc3ccc(C4CC4)c(F)c3)CC2)nn1.CC1CN(c2ccc(C(C)(F)F)nn2)CCN1C(=O)Cc1ccc(C2CC2)cc1.CC1CN(c2nc3c(F)cccc3s2)CCN1C(=O)Cc1ccc(C2CC2)cc1.CC1CN(c2nc3ccccc3s2)CCN1C(=O)Cc1ccc(C2CC2)cc1.CC1CN(c2nc3cccnc3o2)CCN1C(=O)Cc1ccc(C2CC2)cc1.CC1CN(c2nc3ncccc3s2)CCN1C(=O)Cc1ccc(C2CC2)cc1.Cc1ccc2nc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4)C(C)C3)sc2c1
InChIInChI=1S/C24H27N3OS.C23H24FN3OS.C23H25N3OS.C22H26F2N4O.C22H24N4O2.C22H24N4OS.C22H24N4O.C21H23F3N4O.C21H21FN4O/c1-16-3-10-21-22(13-16)29-24(25-21)26-11-12-27(17(2)15-26)23(28)14-18-4-6-19(7-5-18)20-8-9-20;1-15-14-26(23-25-22-19(24)3-2-4-20(22)29-23)11-12-27(15)21(28)13-16-5-7-17(8-6-16)18-9-10-18;1-16-15-25(23-24-20-4-2-3-5-21(20)28-23)12-13-26(16)22(27)14-17-6-8-18(9-7-17)19-10-11-19;1-15-14-27(20-10-9-19(25-26-20)22(2,23)24)11-12-28(15)21(29)13-16-3-5-17(6-4-16)18-7-8-18;1-15-14-25(22-24-19-3-2-10-23-21(19)28-22)11-12-26(15)20(27)13-16-4-6-17(7-5-16)18-8-9-18;1-15-14-25(22-24-21-19(28-22)3-2-10-23-21)11-12-26(15)20(27)13-16-4-6-17(7-5-16)18-8-9-18;1-3-20-13-24-21(14-23-20)25-10-11-26(16(2)15-25)22(27)12-17-4-6-18(7-5-17)19-8-9-19;1-21(23,24)18-6-7-19(26-25-18)27-8-10-28(11-9-27)20(29)13-14-2-5-16(15-3-4-15)17(22)12-14;1-2-17-13-24-20(14-23-17)25-7-9-26(10-8-25)21(27)12-15-3-6-18(16-4-5-16)19(22)11-15/h3-7,10,13,17,20H,8-9,11-12,14-15H2,1-2H3;2-8,15,18H,9-14H2,1H3;2-9,16,19H,10-15H2,1H3;3-6,9-10,15,18H,7-8,11-14H2,1-2H3;2*2-7,10,15,18H,8-9,11-14H2,1H3;1,4-7,13-14,16,19H,8-12,15H2,2H3;2,5-7,12,15H,3-4,8-11,13H2,1H3;1,3,6,11,13-14,16H,4-5,7-10,12H2
InChIKeySNGQUNUWRGRGJG-UHFFFAOYSA-N
XLogP33.26
TPSA418.44 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds38
Heavy Atoms254
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003505.42
LogP ≤ 533.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-[4-(1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-ethynylpyrazin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-ethynylpyrazin-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-ethynylpyrazin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-ethynylpyrazin-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-ethynylpyrazin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-ethynylpyrazin-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone (CID 165069485) is 1-[4-(1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-ethynylpyrazin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-ethynylpyrazin-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-ethynylpyrazin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-ethynylpyrazin-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-ethynylpyrazin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-ethynylpyrazin-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone is C#Cc1cnc(N2CCN(C(=O)Cc3ccc(C4CC4)c(F)c3)CC2)cn1.C#Cc1cnc(N2CCN(C(=O)Cc3ccc(C4CC4)cc3)C(C)C2)cn1.CC(F)(F)c1ccc(N2CCN(C(=O)Cc3ccc(C4CC4)c(F)c3)CC2)nn1.CC1CN(c2ccc(C(C)(F)F)nn2)CCN1C(=O)Cc1ccc(C2CC2)cc1.CC1CN(c2nc3c(F)cccc3s2)CCN1C(=O)Cc1ccc(C2CC2)cc1.CC1CN(c2nc3ccccc3s2)CCN1C(=O)Cc1ccc(C2CC2)cc1.CC1CN(c2nc3cccnc3o2)CCN1C(=O)Cc1ccc(C2CC2)cc1.CC1CN(c2nc3ncccc3s2)CCN1C(=O)Cc1ccc(C2CC2)cc1.Cc1ccc2nc(N3CCN(C(=O)Cc4ccc(C5CC5)cc4)C(C)C3)sc2c1.
What is the InChIKey of 1-[4-(1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-ethynylpyrazin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-ethynylpyrazin-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone?
The InChIKey is SNGQUNUWRGRGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3OS.C23H24FN3OS.C23H25N3OS.C22H26F2N4O.C22H24N4O2.C22H24N4OS.C22H24N4O.C21H23F3N4O.C21H21FN4O/c1-16-3-10-21-22(13-16)29-24(25-21)26-11-12-27(17(2)15-26)23(28)14-18-4-6-19(7-5-18)20-8-9-20;1-15-14-26(23-25-22-19(24)3-2-4-20(22)29-23)11-12-27(15)21(28)13-16-5-7-17(8-6-16)18-9-10-18;1-16-15-25(23-24-20-4-2-3-5-21(20)28-23)12-13-26(16)22(27)14-17-6-8-18(9-7-17)19-10-11-19;1-15-14-27(20-10-9-19(25-26-20)22(2,23)24)11-12-28(15)21(29)13-16-3-5-17(6-4-16)18-7-8-18;1-15-14-25(22-24-19-3-2-10-23-21(19)28-22)11-12-26(15)20(27)13-16-4-6-17(7-5-16)18-8-9-18;1-15-14-25(22-24-21-19(28-22)3-2-10-23-21)11-12-26(15)20(27)13-16-4-6-17(7-5-16)18-8-9-18;1-3-20-13-24-21(14-23-20)25-10-11-26(16(2)15-25)22(27)12-17-4-6-18(7-5-17)19-8-9-19;1-21(23,24)18-6-7-19(26-25-18)27-8-10-28(11-9-27)20(29)13-14-2-5-16(15-3-4-15)17(22)12-14;1-2-17-13-24-20(14-23-17)25-7-9-26(10-8-25)21(27)12-15-3-6-18(16-4-5-16)19(22)11-15/h3-7,10,13,17,20H,8-9,11-12,14-15H2,1-2H3;2-8,15,18H,9-14H2,1H3;2-9,16,19H,10-15H2,1H3;3-6,9-10,15,18H,7-8,11-14H2,1-2H3;2*2-7,10,15,18H,8-9,11-14H2,1H3;1,4-7,13-14,16,19H,8-12,15H2,2H3;2,5-7,12,15H,3-4,8-11,13H2,1H3;1,3,6,11,13-14,16H,4-5,7-10,12H2.
What are the key properties of 1-[4-(1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-ethynylpyrazin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-ethynylpyrazin-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone?
1-[4-(1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-ethynylpyrazin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-ethynylpyrazin-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone has a molecular weight of 3505.42 g/mol, XLogP of 33.26, 38 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-ethynylpyrazin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-ethynylpyrazin-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[2-methyl-4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 165069485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).