bis(6-(6-methyl-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole);1-[2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-1,3-benzothiazol-6-yl]piperidin-2-one;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-3a,6,7,7a-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-1,3-benzothiazole;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6-pyridin-3-yl-1,3-benzothiazole;6-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-2-pyridin-3-ylthieno[2,3-b]pyridine

C153H147N29O2S7 — CID 158102230

IUPACbis(6-(6-methyl-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole);1-[2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-1,3-benzothiazol-6-yl]piperidin-2-one;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-3a,6,7,7a-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-1,3-benzothiazole;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6-pyridin-3-yl-1,3-benzothiazole;6-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-2-pyridin-3-ylthieno[2,3-b]pyridine
SMILESC[C@H]1CCN(c2ccc(-c3ccc4cc(-c5cccnc5)sc4n3)cn2)C1.C[C@H]1CCN(c2ccc(-c3nc4cc(-c5cccnc5)ccc4s3)cn2)C1.C[C@H]1CCN(c2ccc(-c3nc4ccc(-c5cccnc5)cc4s3)cn2)C1.C[C@H]1CCN(c2ccc(-c3nc4ccc(N5CCCCC5=O)cc4s3)cn2)C1.C[C@H]1CCN(c2ccc(C3=NC4CCN(c5cccnc5)C(=O)C4S3)cn2)C1.Cc1ccc(-c2ccc3nc(-c4ccc(N5CCCC5)nc4)sc3c2)cn1.Cc1ccc(-c2ccc3nc(-c4ccc(N5CCCC5)nc4)sc3c2)cn1
InChIInChI=1S/C22H24N4OS.5C22H20N4S.C21H23N5OS/c1-15-9-11-25(14-15)20-8-5-16(13-23-20)22-24-18-7-6-17(12-19(18)28-22)26-10-3-2-4-21(26)27;1-15-8-10-26(14-15)21-7-5-17(13-24-21)19-6-4-16-11-20(27-22(16)25-19)18-3-2-9-23-12-18;1-15-8-10-26(14-15)21-7-5-18(13-24-21)22-25-19-11-16(4-6-20(19)27-22)17-3-2-9-23-12-17;1-15-8-10-26(14-15)21-7-5-18(13-24-21)22-25-19-6-4-16(11-20(19)27-22)17-3-2-9-23-12-17;2*1-15-4-5-17(13-23-15)16-6-8-19-20(12-16)27-22(25-19)18-7-9-21(24-14-18)26-10-2-3-11-26;1-14-6-9-25(13-14)18-5-4-15(11-23-18)20-24-17-7-10-26(21(27)19(17)28-20)16-3-2-8-22-12-16/h5-8,12-13,15H,2-4,9-11,14H2,1H3;3*2-7,9,11-13,15H,8,10,14H2,1H3;2*4-9,12-14H,2-3,10-11H2,1H3;2-5,8,11-12,14,17,19H,6-7,9-10,13H2,1H3/t4*15-;;;14-,17?,19?/m0000..0/s1
InChIKeyFPKFVWBDJNITKR-QDHJLMSLSA-N
MW2648.53 g/mol
LogP34.17
Rot. Bonds21

About bis(6-(6-methyl-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole);1-[2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-1,3-benzothiazol-6-yl]piperidin-2-one;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-3a,6,7,7a-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-1,3-benzothiazole;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6-pyridin-3-yl-1,3-benzothiazole;6-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-2-pyridin-3-ylthieno[2,3-b]pyridine

bis(6-(6-methyl-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole);1-[2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-1,3-benzothiazol-6-yl]piperidin-2-one;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-3a,6,7,7a-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-1,3-benzothiazole;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6-pyridin-3-yl-1,3-benzothiazole;6-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-2-pyridin-3-ylthieno[2,3-b]pyridine (PubChem CID 158102230) has the molecular formula C153H147N29O2S7 and a molecular weight of 2648.53 g/mol. Its IUPAC name is bis(6-(6-methyl-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole);1-[2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-1,3-benzothiazol-6-yl]piperidin-2-one;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-3a,6,7,7a-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-1,3-benzothiazole;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6-pyridin-3-yl-1,3-benzothiazole;6-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-2-pyridin-3-ylthieno[2,3-b]pyridine.

Molecular Properties

Compound Namebis(6-(6-methyl-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole);1-[2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-1,3-benzothiazol-6-yl]piperidin-2-one;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-3a,6,7,7a-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-1,3-benzothiazole;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6-pyridin-3-yl-1,3-benzothiazole;6-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-2-pyridin-3-ylthieno[2,3-b]pyridine
PubChem CID158102230
Molecular FormulaC153H147N29O2S7
Molecular Weight2648.53 g/mol
Exact Mass2646.03
IUPAC Namebis(6-(6-methyl-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole);1-[2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-1,3-benzothiazol-6-yl]piperidin-2-one;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-3a,6,7,7a-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-1,3-benzothiazole;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6-pyridin-3-yl-1,3-benzothiazole;6-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-2-pyridin-3-ylthieno[2,3-b]pyridine
SMILESC[C@H]1CCN(c2ccc(-c3ccc4cc(-c5cccnc5)sc4n3)cn2)C1.C[C@H]1CCN(c2ccc(-c3nc4cc(-c5cccnc5)ccc4s3)cn2)C1.C[C@H]1CCN(c2ccc(-c3nc4ccc(-c5cccnc5)cc4s3)cn2)C1.C[C@H]1CCN(c2ccc(-c3nc4ccc(N5CCCCC5=O)cc4s3)cn2)C1.C[C@H]1CCN(c2ccc(C3=NC4CCN(c5cccnc5)C(=O)C4S3)cn2)C1.Cc1ccc(-c2ccc3nc(-c4ccc(N5CCCC5)nc4)sc3c2)cn1.Cc1ccc(-c2ccc3nc(-c4ccc(N5CCCC5)nc4)sc3c2)cn1
InChIInChI=1S/C22H24N4OS.5C22H20N4S.C21H23N5OS/c1-15-9-11-25(14-15)20-8-5-16(13-23-20)22-24-18-7-6-17(12-19(18)28-22)26-10-3-2-4-21(26)27;1-15-8-10-26(14-15)21-7-5-17(13-24-21)19-6-4-16-11-20(27-22(16)25-19)18-3-2-9-23-12-18;1-15-8-10-26(14-15)21-7-5-18(13-24-21)22-25-19-11-16(4-6-20(19)27-22)17-3-2-9-23-12-17;1-15-8-10-26(14-15)21-7-5-18(13-24-21)22-25-19-6-4-16(11-20(19)27-22)17-3-2-9-23-12-17;2*1-15-4-5-17(13-23-15)16-6-8-19-20(12-16)27-22(25-19)18-7-9-21(24-14-18)26-10-2-3-11-26;1-14-6-9-25(13-14)18-5-4-15(11-23-18)20-24-17-7-10-26(21(27)19(17)28-20)16-3-2-8-22-12-16/h5-8,12-13,15H,2-4,9-11,14H2,1H3;3*2-7,9,11-13,15H,8,10,14H2,1H3;2*4-9,12-14H,2-3,10-11H2,1H3;2-5,8,11-12,14,17,19H,6-7,9-10,13H2,1H3/t4*15-;;;14-,17?,19?/m0000..0/s1
InChIKeyFPKFVWBDJNITKR-QDHJLMSLSA-N
XLogP34.17
TPSA320.57 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds21
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002648.53
LogP ≤ 534.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze bis(6-(6-methyl-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole);1-[2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-1,3-benzothiazol-6-yl]piperidin-2-one;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-3a,6,7,7a-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-1,3-benzothiazole;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6-pyridin-3-yl-1,3-benzothiazole;6-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-2-pyridin-3-ylthieno[2,3-b]pyridine with MolForge

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Launch Full Analysis

Related Compounds

2-[(2R,5S)-2-[2-(1-acetylpiperidin-4-yl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[1-(2-fluoroethyl)piperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[1-(2,2-difluoroethyl)piperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[1-(2-fluoroethyl)piperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4S)-1-methyl-2-oxopiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide
CID 165067372
6-[(7S,8aS)-7-[3-[7-[3-[(7S,8aS)-6-oxo-2-pyridin-3-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]propyl]-1,3-benzothiazol-2-yl]-3-(1,3-benzothiazol-7-yl)propyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]pyridine-3-carbonitrile
CID 156415508
6-tert-butyl-N,9-diphenyl-N-[5-[5-(N-phenylanilino)thiophen-2-yl]thiophen-2-yl]carbazol-3-amine;2-N-(6-tert-butyl-9-phenylcarbazol-3-yl)-2-N,5-N,5-N-triphenylpyridine-2,5-diamine;6-N-(6-tert-butyl-9-phenylcarbazol-3-yl)-2-N,2-N,6-N-triphenylpyridine-2,6-diamine;2-N-(6-tert-butyl-9-phenylcarbazol-3-yl)-2-N,5-N,5-N-triphenyl-1,3-thiazole-2,5-diamine;5-N-(6-tert-butyl-9-phenylcarbazol-3-yl)-2-N,2-N,5-N-triphenyl-1,3-thiazole-2,5-diamine;2-N-(6-tert-butyl-9-phenylcarbazol-3-yl)-2-N,5-N,5-N-triphenylthiophene-2,5-diamine;N,9-diphenyl-N-[6-[6-(N-phenylanilino)-2-pyridinyl]-2-pyridinyl]carbazol-3-amine;2-N,2-N,5-N-triphenyl-5-N-(9-phenylcarbazol-3-yl)pyridine-2,5-diamine
CID 157294234
Ethane;4-methyl-1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-5-yl]piperazin-2-one;5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-3a,6,7,7a-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-4-one;bis(5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole);4-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-5-yl]morpholin-3-one
CID 157921210
Ethane;4-methyl-1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperazin-2-one;5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-3a,6,7,7a-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one;5-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole;6-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole;4-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]morpholin-3-one
CID 158100895
2,5-Dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;2,5-dimethyl-[1,3]thiazolo[5,4-b]pyridine;bis(2,6-dimethyl-[1,3]thiazolo[4,5-b]pyridine);2,6-dimethyl-[1,3]thiazolo[5,4-b]pyridine;2,6-dimethyl-[1,3]thiazolo[4,5-c]pyridine;2,6-dimethyl-[1,3]thiazolo[5,4-c]pyridine;2,5-dimethylthieno[2,3-b]pyridine;2,5-dimethylthieno[3,2-b]pyridine;2,6-dimethylthieno[2,3-b]pyridine;2,6-dimethylthieno[3,2-b]pyridine;2,5-dimethylthieno[2,3-c]pyridine;2,6-dimethylthieno[3,2-c]pyridine
CID 158803497
Carbanide;4-propan-2-yl-1,3-benzothiazole;bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;4-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;7-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;7-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;bis(4-propan-2-ylthieno[2,3-b]pyridine);5-propan-2-ylthieno[2,3-b]pyridine;5-propan-2-ylthieno[3,2-b]pyridine;6-propan-2-ylthieno[2,3-b]pyridine;6-propan-2-ylthieno[3,2-b]pyridine;bis(7-propan-2-ylthieno[3,2-b]pyridine);4-propan-2-ylthieno[2,3-c]pyridine;4-propan-2-ylthieno[3,2-c]pyridine;7-propan-2-ylthieno[2,3-c]pyridine;7-propan-2-ylthieno[3,2-c]pyridine;bis(4-propan-2-ylthieno[2,3-d]pyrimidine);bis(4-propan-2-ylthieno[3,2-d]pyrimidine);(yttrium)
CID 158862889
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide;N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide;N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide;N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 159167005
6-tert-butyl-N,9-diphenyl-N-[6-[6-(N-phenylanilino)-2-pyridinyl]-2-pyridinyl]carbazol-3-amine;5-N-(6-tert-butyl-9-phenylcarbazol-3-yl)-2-N,2-N,5-N-triphenylpyridine-2,5-diamine;3-N,6-N,9-triphenyl-3-N,6-N-bis[5-(N-phenylanilino)-2-pyridinyl]carbazole-3,6-diamine;3-N,6-N,9-triphenyl-3-N,6-N-bis[6-(N-phenylanilino)-2-pyridinyl]carbazole-3,6-diamine;3-N,6-N,9-triphenyl-3-N,6-N-bis[5-(N-phenylanilino)thiophen-2-yl]carbazole-3,6-diamine;2-N,5-N,5-N-triphenyl-2-N-[9-phenyl-6-(N-[5-(N-phenylanilino)-1,3-thiazol-2-yl]anilino)carbazol-3-yl]-1,3-thiazole-2,5-diamine
CID 159267424
N,9-diphenyl-N-[6-[6-(N-phenylanilino)-2-pyridinyl]-2-pyridinyl]carbazol-3-amine;N,9-diphenyl-N-[5-[5-(N-phenylanilino)thiophen-2-yl]thiophen-2-yl]carbazol-3-amine;2-N,2-N,5-N-triphenyl-5-N-(9-phenylcarbazol-3-yl)pyridine-2,5-diamine;2-N,2-N,6-N-triphenyl-6-N-(9-phenylcarbazol-3-yl)pyridine-2,6-diamine;2-N,5-N,5-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)pyridine-2,5-diamine;2-N,2-N,5-N-triphenyl-5-N-(9-phenylcarbazol-3-yl)-1,3-thiazole-2,5-diamine;2-N,5-N,5-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)-1,3-thiazole-2,5-diamine;2-N,5-N,5-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)thiophene-2,5-diamine
CID 159752550
2-N-(6-tert-butyl-9-phenylcarbazol-3-yl)-2-N,5-N,5-N-triphenyl-1,3-thiazole-2,5-diamine;2-N-(6-tert-butyl-9-phenylcarbazol-3-yl)-2-N,5-N,5-N-triphenylthiophene-2,5-diamine;N,9-diphenyl-N-[6-[6-(N-phenylanilino)-2-pyridinyl]-2-pyridinyl]carbazol-3-amine;N,9-diphenyl-N-[5-[5-(N-phenylanilino)thiophen-2-yl]thiophen-2-yl]carbazol-3-amine;2-N,2-N,5-N-triphenyl-5-N-(9-phenylcarbazol-3-yl)pyridine-2,5-diamine;2-N,2-N,6-N-triphenyl-6-N-(9-phenylcarbazol-3-yl)pyridine-2,6-diamine;2-N,5-N,5-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)pyridine-2,5-diamine;2-N,2-N,5-N-triphenyl-5-N-(9-phenylcarbazol-3-yl)-1,3-thiazole-2,5-diamine
CID 160017569
Carbanide;bis(4-propan-2-yl-1,3-benzothiazole);bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);bis(7-propan-2-yl-1,3-benzothiazole);7-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;4-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;7-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;7-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;tris(4-propan-2-ylthieno[2,3-b]pyridine);5-propan-2-ylthieno[2,3-b]pyridine;5-propan-2-ylthieno[3,2-b]pyridine;6-propan-2-ylthieno[2,3-b]pyridine;6-propan-2-ylthieno[3,2-b]pyridine;bis(7-propan-2-ylthieno[3,2-b]pyridine);4-propan-2-ylthieno[2,3-c]pyridine;4-propan-2-ylthieno[3,2-c]pyridine;7-propan-2-ylthieno[2,3-c]pyridine;7-propan-2-ylthieno[3,2-c]pyridine;4-propan-2-ylthieno[2,3-d]pyrimidine;bis(4-propan-2-ylthieno[3,2-d]pyrimidine);(yttrium)
CID 160119524

Frequently Asked Questions

What is the IUPAC name of bis(6-(6-methyl-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole);1-[2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-1,3-benzothiazol-6-yl]piperidin-2-one;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-3a,6,7,7a-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-1,3-benzothiazole;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6-pyridin-3-yl-1,3-benzothiazole;6-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-2-pyridin-3-ylthieno[2,3-b]pyridine?
The IUPAC name of bis(6-(6-methyl-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole);1-[2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-1,3-benzothiazol-6-yl]piperidin-2-one;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-3a,6,7,7a-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-1,3-benzothiazole;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6-pyridin-3-yl-1,3-benzothiazole;6-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-2-pyridin-3-ylthieno[2,3-b]pyridine (CID 158102230) is bis(6-(6-methyl-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole);1-[2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-1,3-benzothiazol-6-yl]piperidin-2-one;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-3a,6,7,7a-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-1,3-benzothiazole;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6-pyridin-3-yl-1,3-benzothiazole;6-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-2-pyridin-3-ylthieno[2,3-b]pyridine.
What is the SMILES notation for bis(6-(6-methyl-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole);1-[2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-1,3-benzothiazol-6-yl]piperidin-2-one;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-3a,6,7,7a-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-1,3-benzothiazole;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6-pyridin-3-yl-1,3-benzothiazole;6-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-2-pyridin-3-ylthieno[2,3-b]pyridine?
The canonical SMILES for bis(6-(6-methyl-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole);1-[2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-1,3-benzothiazol-6-yl]piperidin-2-one;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-3a,6,7,7a-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-1,3-benzothiazole;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6-pyridin-3-yl-1,3-benzothiazole;6-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-2-pyridin-3-ylthieno[2,3-b]pyridine is C[C@H]1CCN(c2ccc(-c3ccc4cc(-c5cccnc5)sc4n3)cn2)C1.C[C@H]1CCN(c2ccc(-c3nc4cc(-c5cccnc5)ccc4s3)cn2)C1.C[C@H]1CCN(c2ccc(-c3nc4ccc(-c5cccnc5)cc4s3)cn2)C1.C[C@H]1CCN(c2ccc(-c3nc4ccc(N5CCCCC5=O)cc4s3)cn2)C1.C[C@H]1CCN(c2ccc(C3=NC4CCN(c5cccnc5)C(=O)C4S3)cn2)C1.Cc1ccc(-c2ccc3nc(-c4ccc(N5CCCC5)nc4)sc3c2)cn1.Cc1ccc(-c2ccc3nc(-c4ccc(N5CCCC5)nc4)sc3c2)cn1.
What is the InChIKey of bis(6-(6-methyl-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole);1-[2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-1,3-benzothiazol-6-yl]piperidin-2-one;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-3a,6,7,7a-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-1,3-benzothiazole;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6-pyridin-3-yl-1,3-benzothiazole;6-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-2-pyridin-3-ylthieno[2,3-b]pyridine?
The InChIKey is FPKFVWBDJNITKR-QDHJLMSLSA-N. The full InChI is InChI=1S/C22H24N4OS.5C22H20N4S.C21H23N5OS/c1-15-9-11-25(14-15)20-8-5-16(13-23-20)22-24-18-7-6-17(12-19(18)28-22)26-10-3-2-4-21(26)27;1-15-8-10-26(14-15)21-7-5-17(13-24-21)19-6-4-16-11-20(27-22(16)25-19)18-3-2-9-23-12-18;1-15-8-10-26(14-15)21-7-5-18(13-24-21)22-25-19-11-16(4-6-20(19)27-22)17-3-2-9-23-12-17;1-15-8-10-26(14-15)21-7-5-18(13-24-21)22-25-19-6-4-16(11-20(19)27-22)17-3-2-9-23-12-17;2*1-15-4-5-17(13-23-15)16-6-8-19-20(12-16)27-22(25-19)18-7-9-21(24-14-18)26-10-2-3-11-26;1-14-6-9-25(13-14)18-5-4-15(11-23-18)20-24-17-7-10-26(21(27)19(17)28-20)16-3-2-8-22-12-16/h5-8,12-13,15H,2-4,9-11,14H2,1H3;3*2-7,9,11-13,15H,8,10,14H2,1H3;2*4-9,12-14H,2-3,10-11H2,1H3;2-5,8,11-12,14,17,19H,6-7,9-10,13H2,1H3/t4*15-;;;14-,17?,19?/m0000..0/s1.
What are the key properties of bis(6-(6-methyl-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole);1-[2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-1,3-benzothiazol-6-yl]piperidin-2-one;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-3a,6,7,7a-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-1,3-benzothiazole;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6-pyridin-3-yl-1,3-benzothiazole;6-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-2-pyridin-3-ylthieno[2,3-b]pyridine?
bis(6-(6-methyl-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole);1-[2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-1,3-benzothiazol-6-yl]piperidin-2-one;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-3a,6,7,7a-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-1,3-benzothiazole;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6-pyridin-3-yl-1,3-benzothiazole;6-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-2-pyridin-3-ylthieno[2,3-b]pyridine has a molecular weight of 2648.53 g/mol, XLogP of 34.17, 21 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-(6-methyl-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole);1-[2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-1,3-benzothiazol-6-yl]piperidin-2-one;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-3a,6,7,7a-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-1,3-benzothiazole;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6-pyridin-3-yl-1,3-benzothiazole;6-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-2-pyridin-3-ylthieno[2,3-b]pyridine is sourced from PubChem (CID 158102230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).