3-(1,3-benzothiazol-7-ylsulfonyl)-1-[(2S)-4-(2-chloro-6-methylphenyl)-2-methylpiperazin-1-yl]propan-1-one;3-(1,3-benzothiazol-7-ylsulfonyl)-1-[4-(2-chloro-6-methylphenyl)piperazin-1-yl]propan-1-one;3-(1,3-benzothiazol-7-ylsulfonyl)-1-[4-(2,6-dichlorophenyl)piperazin-1-yl]propan-1-one;1-[8-(3-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-imidazo[1,2-a]pyridin-5-ylsulfonylpropan-1-one;1-[8-(3-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-[(2-methyl-1,3-benzoxazol-7-yl)sulfonyl]propan-1-one;3-imidazo[1,2-a]pyridin-5-ylsulfonyl-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one

C126H133Cl4F2N23O19S9 — CID 167585202

IUPAC3-(1,3-benzothiazol-7-ylsulfonyl)-1-[(2S)-4-(2-chloro-6-methylphenyl)-2-methylpiperazin-1-yl]propan-1-one;3-(1,3-benzothiazol-7-ylsulfonyl)-1-[4-(2-chloro-6-methylphenyl)piperazin-1-yl]propan-1-one;3-(1,3-benzothiazol-7-ylsulfonyl)-1-[4-(2,6-dichlorophenyl)piperazin-1-yl]propan-1-one;1-[8-(3-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-imidazo[1,2-a]pyridin-5-ylsulfonylpropan-1-one;1-[8-(3-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-[(2-methyl-1,3-benzoxazol-7-yl)sulfonyl]propan-1-one;3-imidazo[1,2-a]pyridin-5-ylsulfonyl-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one
SMILESCc1ccc(N2CCN(C(=O)CCS(=O)(=O)c3cccc4nccn34)CC2)nc1.Cc1cccc(Cl)c1N1CCN(C(=O)CCS(=O)(=O)c2cccc3ncsc23)CC1.Cc1cccc(Cl)c1N1CCN(C(=O)CCS(=O)(=O)c2cccc3ncsc23)[C@@H](C)C1.Cc1nc2cccc(S(=O)(=O)CCC(=O)N3CC4CCC(C3)N4c3ccncc3F)c2o1.O=C(CCS(=O)(=O)c1cccc2nccn12)N1CC2CCC(C1)N2c1ccncc1F.O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CCN(c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C22H24ClN3O3S2.C22H23FN4O4S.C21H22ClN3O3S2.C21H22FN5O3S.C20H19Cl2N3O3S2.C20H23N5O3S/c1-15-5-3-6-17(23)21(15)25-10-11-26(16(2)13-25)20(27)9-12-31(28,29)19-8-4-7-18-22(19)30-14-24-18;1-14-25-18-3-2-4-20(22(18)31-14)32(29,30)10-8-21(28)26-12-15-5-6-16(13-26)27(15)19-7-9-24-11-17(19)23;1-15-4-2-5-16(22)20(15)25-11-9-24(10-12-25)19(26)8-13-30(27,28)18-7-3-6-17-21(18)29-14-23-17;22-17-12-23-8-6-18(17)27-15-4-5-16(27)14-25(13-15)20(28)7-11-31(29,30)21-3-1-2-19-24-9-10-26(19)21;21-14-3-1-4-15(22)19(14)25-10-8-24(9-11-25)18(26)7-12-30(27,28)17-6-2-5-16-20(17)29-13-23-16;1-16-5-6-17(22-15-16)23-10-12-24(13-11-23)19(26)7-14-29(27,28)20-4-2-3-18-21-8-9-25(18)20/h3-8,14,16H,9-13H2,1-2H3;2-4,7,9,11,15-16H,5-6,8,10,12-13H2,1H3;2-7,14H,8-13H2,1H3;1-3,6,8-10,12,15-16H,4-5,7,11,13-14H2;1-6,13H,7-12H2;2-6,8-9,15H,7,10-14H2,1H3/t16-;;;;;/m0...../s1
InChIKeyHSCRJZIQVHYGNU-KVDBKFDSSA-N
MW2742.00 g/mol
LogP18.22
Rot. Bonds30

About 3-(1,3-benzothiazol-7-ylsulfonyl)-1-[(2S)-4-(2-chloro-6-methylphenyl)-2-methylpiperazin-1-yl]propan-1-one;3-(1,3-benzothiazol-7-ylsulfonyl)-1-[4-(2-chloro-6-methylphenyl)piperazin-1-yl]propan-1-one;3-(1,3-benzothiazol-7-ylsulfonyl)-1-[4-(2,6-dichlorophenyl)piperazin-1-yl]propan-1-one;1-[8-(3-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-imidazo[1,2-a]pyridin-5-ylsulfonylpropan-1-one;1-[8-(3-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-[(2-methyl-1,3-benzoxazol-7-yl)sulfonyl]propan-1-one;3-imidazo[1,2-a]pyridin-5-ylsulfonyl-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one

3-(1,3-benzothiazol-7-ylsulfonyl)-1-[(2S)-4-(2-chloro-6-methylphenyl)-2-methylpiperazin-1-yl]propan-1-one;3-(1,3-benzothiazol-7-ylsulfonyl)-1-[4-(2-chloro-6-methylphenyl)piperazin-1-yl]propan-1-one;3-(1,3-benzothiazol-7-ylsulfonyl)-1-[4-(2,6-dichlorophenyl)piperazin-1-yl]propan-1-one;1-[8-(3-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-imidazo[1,2-a]pyridin-5-ylsulfonylpropan-1-one;1-[8-(3-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-[(2-methyl-1,3-benzoxazol-7-yl)sulfonyl]propan-1-one;3-imidazo[1,2-a]pyridin-5-ylsulfonyl-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one (PubChem CID 167585202) has the molecular formula C126H133Cl4F2N23O19S9 and a molecular weight of 2742.00 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-7-ylsulfonyl)-1-[(2S)-4-(2-chloro-6-methylphenyl)-2-methylpiperazin-1-yl]propan-1-one;3-(1,3-benzothiazol-7-ylsulfonyl)-1-[4-(2-chloro-6-methylphenyl)piperazin-1-yl]propan-1-one;3-(1,3-benzothiazol-7-ylsulfonyl)-1-[4-(2,6-dichlorophenyl)piperazin-1-yl]propan-1-one;1-[8-(3-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-imidazo[1,2-a]pyridin-5-ylsulfonylpropan-1-one;1-[8-(3-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-[(2-methyl-1,3-benzoxazol-7-yl)sulfonyl]propan-1-one;3-imidazo[1,2-a]pyridin-5-ylsulfonyl-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(1,3-benzothiazol-7-ylsulfonyl)-1-[(2S)-4-(2-chloro-6-methylphenyl)-2-methylpiperazin-1-yl]propan-1-one;3-(1,3-benzothiazol-7-ylsulfonyl)-1-[4-(2-chloro-6-methylphenyl)piperazin-1-yl]propan-1-one;3-(1,3-benzothiazol-7-ylsulfonyl)-1-[4-(2,6-dichlorophenyl)piperazin-1-yl]propan-1-one;1-[8-(3-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-imidazo[1,2-a]pyridin-5-ylsulfonylpropan-1-one;1-[8-(3-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-[(2-methyl-1,3-benzoxazol-7-yl)sulfonyl]propan-1-one;3-imidazo[1,2-a]pyridin-5-ylsulfonyl-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one
PubChem CID167585202
Molecular FormulaC126H133Cl4F2N23O19S9
Molecular Weight2742.00 g/mol
Exact Mass2737.64
IUPAC Name3-(1,3-benzothiazol-7-ylsulfonyl)-1-[(2S)-4-(2-chloro-6-methylphenyl)-2-methylpiperazin-1-yl]propan-1-one;3-(1,3-benzothiazol-7-ylsulfonyl)-1-[4-(2-chloro-6-methylphenyl)piperazin-1-yl]propan-1-one;3-(1,3-benzothiazol-7-ylsulfonyl)-1-[4-(2,6-dichlorophenyl)piperazin-1-yl]propan-1-one;1-[8-(3-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-imidazo[1,2-a]pyridin-5-ylsulfonylpropan-1-one;1-[8-(3-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-[(2-methyl-1,3-benzoxazol-7-yl)sulfonyl]propan-1-one;3-imidazo[1,2-a]pyridin-5-ylsulfonyl-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one
SMILESCc1ccc(N2CCN(C(=O)CCS(=O)(=O)c3cccc4nccn34)CC2)nc1.Cc1cccc(Cl)c1N1CCN(C(=O)CCS(=O)(=O)c2cccc3ncsc23)CC1.Cc1cccc(Cl)c1N1CCN(C(=O)CCS(=O)(=O)c2cccc3ncsc23)[C@@H](C)C1.Cc1nc2cccc(S(=O)(=O)CCC(=O)N3CC4CCC(C3)N4c3ccncc3F)c2o1.O=C(CCS(=O)(=O)c1cccc2nccn12)N1CC2CCC(C1)N2c1ccncc1F.O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CCN(c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C22H24ClN3O3S2.C22H23FN4O4S.C21H22ClN3O3S2.C21H22FN5O3S.C20H19Cl2N3O3S2.C20H23N5O3S/c1-15-5-3-6-17(23)21(15)25-10-11-26(16(2)13-25)20(27)9-12-31(28,29)19-8-4-7-18-22(19)30-14-24-18;1-14-25-18-3-2-4-20(22(18)31-14)32(29,30)10-8-21(28)26-12-15-5-6-16(13-26)27(15)19-7-9-24-11-17(19)23;1-15-4-2-5-16(22)20(15)25-11-9-24(10-12-25)19(26)8-13-30(27,28)18-7-3-6-17-21(18)29-14-23-17;22-17-12-23-8-6-18(17)27-15-4-5-16(27)14-25(13-15)20(28)7-11-31(29,30)21-3-1-2-19-24-9-10-26(19)21;21-14-3-1-4-15(22)19(14)25-10-8-24(9-11-25)18(26)7-12-30(27,28)17-6-2-5-16-20(17)29-13-23-16;1-16-5-6-17(22-15-16)23-10-12-24(13-11-23)19(26)7-14-29(27,28)20-4-2-3-18-21-8-9-25(18)20/h3-8,14,16H,9-13H2,1-2H3;2-4,7,9,11,15-16H,5-6,8,10,12-13H2,1H3;2-7,14H,8-13H2,1H3;1-3,6,8-10,12,15-16H,4-5,7,11,13-14H2;1-6,13H,7-12H2;2-6,8-9,15H,7,10-14H2,1H3/t16-;;;;;/m0...../s1
InChIKeyHSCRJZIQVHYGNU-KVDBKFDSSA-N
XLogP18.22
TPSA484.11 Ų
H-Bond Donors
H-Bond Acceptors39
Rotatable Bonds30
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002742.00
LogP ≤ 518.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1039

Analyze 3-(1,3-benzothiazol-7-ylsulfonyl)-1-[(2S)-4-(2-chloro-6-methylphenyl)-2-methylpiperazin-1-yl]propan-1-one;3-(1,3-benzothiazol-7-ylsulfonyl)-1-[4-(2-chloro-6-methylphenyl)piperazin-1-yl]propan-1-one;3-(1,3-benzothiazol-7-ylsulfonyl)-1-[4-(2,6-dichlorophenyl)piperazin-1-yl]propan-1-one;1-[8-(3-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-imidazo[1,2-a]pyridin-5-ylsulfonylpropan-1-one;1-[8-(3-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-[(2-methyl-1,3-benzoxazol-7-yl)sulfonyl]propan-1-one;3-imidazo[1,2-a]pyridin-5-ylsulfonyl-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

3-(1,3-benzothiazol-7-ylsulfonyl)-1-[(2S)-4-(2-chloro-6-methylphenyl)-2-methylpiperazin-1-yl]propan-1-one
CID 167585206
3-(1,3-benzothiazol-7-ylsulfonyl)-1-[4-(3,5-dimethyl-2-pyridinyl)-2,6-dimethylpiperazin-1-yl]propan-1-one;3-(1,3-benzothiazol-7-ylsulfonyl)-1-[3-(5-ethynyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one;3-(1,3-benzothiazol-7-ylsulfonyl)-1-[4-(5-ethynyl-2-pyridinyl)-2,6-dimethylpiperazin-1-yl]propan-1-one;3-(1,3-benzothiazol-7-ylsulfonyl)-1-[9-(5-ethynyl-2-pyridinyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]propan-1-one;1-[8-(3-ethynyl-4-fluorophenyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-[(6-fluoroimidazo[1,2-a]pyridin-5-yl)methylamino]propan-1-one;1-[8-(3-ethynyl-4-methylphenyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-imidazo[1,2-a]pyridin-5-ylsulfonylpropan-1-one
CID 167665068
3-(1,3-benzothiazol-7-ylsulfonyl)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one
CID 162673304
1-[8-[5-(1,1-difluoroethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-imidazo[1,2-a]pyridin-5-ylsulfonylpropan-1-one
CID 167544560
3-(1,3-benzothiazol-7-ylsulfonyl)-1-[4-[2-(1,1-difluoroethyl)-4-pyridinyl]piperazin-1-yl]propan-1-one
CID 167666893
6-[5-[3-(1,3-benzothiazol-7-ylsulfonyl)propanoyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]pyridine-3-carbonitrile
CID 162647382
4-(1,3-benzothiazol-7-yl)-1-[(2S)-4-(5-fluoro-3-methyl-2-pyridinyl)-2-methylpiperazin-1-yl]butan-1-one
CID 162675619
3-(isoquinolin-5-ylmethoxy)-1-[8-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one
CID 167533215
3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-one
CID 22421850
2-(isoquinolin-5-ylmethoxy)-1-[8-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone
CID 167533213
2-[4-chloro-6-[3-methyl-4-(4-methylbenzoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 42662765
[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 59676606

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-7-ylsulfonyl)-1-[(2S)-4-(2-chloro-6-methylphenyl)-2-methylpiperazin-1-yl]propan-1-one;3-(1,3-benzothiazol-7-ylsulfonyl)-1-[4-(2-chloro-6-methylphenyl)piperazin-1-yl]propan-1-one;3-(1,3-benzothiazol-7-ylsulfonyl)-1-[4-(2,6-dichlorophenyl)piperazin-1-yl]propan-1-one;1-[8-(3-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-imidazo[1,2-a]pyridin-5-ylsulfonylpropan-1-one;1-[8-(3-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-[(2-methyl-1,3-benzoxazol-7-yl)sulfonyl]propan-1-one;3-imidazo[1,2-a]pyridin-5-ylsulfonyl-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(1,3-benzothiazol-7-ylsulfonyl)-1-[(2S)-4-(2-chloro-6-methylphenyl)-2-methylpiperazin-1-yl]propan-1-one;3-(1,3-benzothiazol-7-ylsulfonyl)-1-[4-(2-chloro-6-methylphenyl)piperazin-1-yl]propan-1-one;3-(1,3-benzothiazol-7-ylsulfonyl)-1-[4-(2,6-dichlorophenyl)piperazin-1-yl]propan-1-one;1-[8-(3-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-imidazo[1,2-a]pyridin-5-ylsulfonylpropan-1-one;1-[8-(3-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-[(2-methyl-1,3-benzoxazol-7-yl)sulfonyl]propan-1-one;3-imidazo[1,2-a]pyridin-5-ylsulfonyl-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one (CID 167585202) is 3-(1,3-benzothiazol-7-ylsulfonyl)-1-[(2S)-4-(2-chloro-6-methylphenyl)-2-methylpiperazin-1-yl]propan-1-one;3-(1,3-benzothiazol-7-ylsulfonyl)-1-[4-(2-chloro-6-methylphenyl)piperazin-1-yl]propan-1-one;3-(1,3-benzothiazol-7-ylsulfonyl)-1-[4-(2,6-dichlorophenyl)piperazin-1-yl]propan-1-one;1-[8-(3-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-imidazo[1,2-a]pyridin-5-ylsulfonylpropan-1-one;1-[8-(3-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-[(2-methyl-1,3-benzoxazol-7-yl)sulfonyl]propan-1-one;3-imidazo[1,2-a]pyridin-5-ylsulfonyl-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(1,3-benzothiazol-7-ylsulfonyl)-1-[(2S)-4-(2-chloro-6-methylphenyl)-2-methylpiperazin-1-yl]propan-1-one;3-(1,3-benzothiazol-7-ylsulfonyl)-1-[4-(2-chloro-6-methylphenyl)piperazin-1-yl]propan-1-one;3-(1,3-benzothiazol-7-ylsulfonyl)-1-[4-(2,6-dichlorophenyl)piperazin-1-yl]propan-1-one;1-[8-(3-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-imidazo[1,2-a]pyridin-5-ylsulfonylpropan-1-one;1-[8-(3-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-[(2-methyl-1,3-benzoxazol-7-yl)sulfonyl]propan-1-one;3-imidazo[1,2-a]pyridin-5-ylsulfonyl-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(1,3-benzothiazol-7-ylsulfonyl)-1-[(2S)-4-(2-chloro-6-methylphenyl)-2-methylpiperazin-1-yl]propan-1-one;3-(1,3-benzothiazol-7-ylsulfonyl)-1-[4-(2-chloro-6-methylphenyl)piperazin-1-yl]propan-1-one;3-(1,3-benzothiazol-7-ylsulfonyl)-1-[4-(2,6-dichlorophenyl)piperazin-1-yl]propan-1-one;1-[8-(3-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-imidazo[1,2-a]pyridin-5-ylsulfonylpropan-1-one;1-[8-(3-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-[(2-methyl-1,3-benzoxazol-7-yl)sulfonyl]propan-1-one;3-imidazo[1,2-a]pyridin-5-ylsulfonyl-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one is Cc1ccc(N2CCN(C(=O)CCS(=O)(=O)c3cccc4nccn34)CC2)nc1.Cc1cccc(Cl)c1N1CCN(C(=O)CCS(=O)(=O)c2cccc3ncsc23)CC1.Cc1cccc(Cl)c1N1CCN(C(=O)CCS(=O)(=O)c2cccc3ncsc23)[C@@H](C)C1.Cc1nc2cccc(S(=O)(=O)CCC(=O)N3CC4CCC(C3)N4c3ccncc3F)c2o1.O=C(CCS(=O)(=O)c1cccc2nccn12)N1CC2CCC(C1)N2c1ccncc1F.O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CCN(c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 3-(1,3-benzothiazol-7-ylsulfonyl)-1-[(2S)-4-(2-chloro-6-methylphenyl)-2-methylpiperazin-1-yl]propan-1-one;3-(1,3-benzothiazol-7-ylsulfonyl)-1-[4-(2-chloro-6-methylphenyl)piperazin-1-yl]propan-1-one;3-(1,3-benzothiazol-7-ylsulfonyl)-1-[4-(2,6-dichlorophenyl)piperazin-1-yl]propan-1-one;1-[8-(3-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-imidazo[1,2-a]pyridin-5-ylsulfonylpropan-1-one;1-[8-(3-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-[(2-methyl-1,3-benzoxazol-7-yl)sulfonyl]propan-1-one;3-imidazo[1,2-a]pyridin-5-ylsulfonyl-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one?
The InChIKey is HSCRJZIQVHYGNU-KVDBKFDSSA-N. The full InChI is InChI=1S/C22H24ClN3O3S2.C22H23FN4O4S.C21H22ClN3O3S2.C21H22FN5O3S.C20H19Cl2N3O3S2.C20H23N5O3S/c1-15-5-3-6-17(23)21(15)25-10-11-26(16(2)13-25)20(27)9-12-31(28,29)19-8-4-7-18-22(19)30-14-24-18;1-14-25-18-3-2-4-20(22(18)31-14)32(29,30)10-8-21(28)26-12-15-5-6-16(13-26)27(15)19-7-9-24-11-17(19)23;1-15-4-2-5-16(22)20(15)25-11-9-24(10-12-25)19(26)8-13-30(27,28)18-7-3-6-17-21(18)29-14-23-17;22-17-12-23-8-6-18(17)27-15-4-5-16(27)14-25(13-15)20(28)7-11-31(29,30)21-3-1-2-19-24-9-10-26(19)21;21-14-3-1-4-15(22)19(14)25-10-8-24(9-11-25)18(26)7-12-30(27,28)17-6-2-5-16-20(17)29-13-23-16;1-16-5-6-17(22-15-16)23-10-12-24(13-11-23)19(26)7-14-29(27,28)20-4-2-3-18-21-8-9-25(18)20/h3-8,14,16H,9-13H2,1-2H3;2-4,7,9,11,15-16H,5-6,8,10,12-13H2,1H3;2-7,14H,8-13H2,1H3;1-3,6,8-10,12,15-16H,4-5,7,11,13-14H2;1-6,13H,7-12H2;2-6,8-9,15H,7,10-14H2,1H3/t16-;;;;;/m0...../s1.
What are the key properties of 3-(1,3-benzothiazol-7-ylsulfonyl)-1-[(2S)-4-(2-chloro-6-methylphenyl)-2-methylpiperazin-1-yl]propan-1-one;3-(1,3-benzothiazol-7-ylsulfonyl)-1-[4-(2-chloro-6-methylphenyl)piperazin-1-yl]propan-1-one;3-(1,3-benzothiazol-7-ylsulfonyl)-1-[4-(2,6-dichlorophenyl)piperazin-1-yl]propan-1-one;1-[8-(3-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-imidazo[1,2-a]pyridin-5-ylsulfonylpropan-1-one;1-[8-(3-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-[(2-methyl-1,3-benzoxazol-7-yl)sulfonyl]propan-1-one;3-imidazo[1,2-a]pyridin-5-ylsulfonyl-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one?
3-(1,3-benzothiazol-7-ylsulfonyl)-1-[(2S)-4-(2-chloro-6-methylphenyl)-2-methylpiperazin-1-yl]propan-1-one;3-(1,3-benzothiazol-7-ylsulfonyl)-1-[4-(2-chloro-6-methylphenyl)piperazin-1-yl]propan-1-one;3-(1,3-benzothiazol-7-ylsulfonyl)-1-[4-(2,6-dichlorophenyl)piperazin-1-yl]propan-1-one;1-[8-(3-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-imidazo[1,2-a]pyridin-5-ylsulfonylpropan-1-one;1-[8-(3-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-[(2-methyl-1,3-benzoxazol-7-yl)sulfonyl]propan-1-one;3-imidazo[1,2-a]pyridin-5-ylsulfonyl-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one has a molecular weight of 2742.00 g/mol, XLogP of 18.22, 30 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-7-ylsulfonyl)-1-[(2S)-4-(2-chloro-6-methylphenyl)-2-methylpiperazin-1-yl]propan-1-one;3-(1,3-benzothiazol-7-ylsulfonyl)-1-[4-(2-chloro-6-methylphenyl)piperazin-1-yl]propan-1-one;3-(1,3-benzothiazol-7-ylsulfonyl)-1-[4-(2,6-dichlorophenyl)piperazin-1-yl]propan-1-one;1-[8-(3-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-imidazo[1,2-a]pyridin-5-ylsulfonylpropan-1-one;1-[8-(3-fluoro-4-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-[(2-methyl-1,3-benzoxazol-7-yl)sulfonyl]propan-1-one;3-imidazo[1,2-a]pyridin-5-ylsulfonyl-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 167585202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).