6-(4-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;N-[2-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;7-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrimidin-2-amine;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine

C135H160F3N35O3S6 — CID 157193776

IUPAC6-(4-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;N-[2-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;7-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrimidin-2-amine;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(=O)Nc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)c1.CC(=O)Nc1ccccc1-c1cnc2nc(N3CCC(N4CCCCC4)CC3)sc2c1.Cc1ccncc1-c1cnc2nc(N3CCC(N4CCCCC4)CC3)sc2c1.Nc1ncc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)c(C(F)(F)F)n1.Nc1ncc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)cn1.O=c1ccnc2ccc(-c3cc4sc(N5CCC(N6CCCCC6)CC5)nc4cn3)cn12
InChIInChI=1S/C24H26N6OS.2C24H29N5OS.C22H27N5S.C21H24F3N7S.C20H25N7S/c31-23-6-9-25-22-5-4-17(16-30(22)23)19-14-21-20(15-26-19)27-24(32-21)29-12-7-18(8-13-29)28-10-2-1-3-11-28;1-17(30)26-21-8-4-3-7-20(21)18-15-22-23(25-16-18)27-24(31-22)29-13-9-19(10-14-29)28-11-5-2-6-12-28;1-17(30)26-20-7-5-6-18(14-20)19-15-22-23(25-16-19)27-24(31-22)29-12-8-21(9-13-29)28-10-3-2-4-11-28;1-16-5-8-23-15-19(16)17-13-20-21(24-14-17)25-22(28-20)27-11-6-18(7-12-27)26-9-3-2-4-10-26;22-21(23,24)18-14(11-27-19(25)29-18)15-10-17-16(12-26-15)28-20(32-17)31-8-4-13(5-9-31)30-6-2-1-3-7-30;21-19-23-11-14(12-24-19)16-10-18-17(13-22-16)25-20(28-18)27-8-4-15(5-9-27)26-6-2-1-3-7-26/h4-6,9,14-16,18H,1-3,7-8,10-13H2;3-4,7-8,15-16,19H,2,5-6,9-14H2,1H3,(H,26,30);5-7,14-16,21H,2-4,8-13H2,1H3,(H,26,30);5,8,13-15,18H,2-4,6-7,9-12H2,1H3;10-13H,1-9H2,(H2,25,27,29);10-13,15H,1-9H2,(H2,21,23,24)
InChIKeyAPZSGPNZYPXDES-UHFFFAOYSA-N
MW2570.40 g/mol
LogP25.27
Rot. Bonds20

About 6-(4-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;N-[2-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;7-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrimidin-2-amine;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine

6-(4-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;N-[2-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;7-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrimidin-2-amine;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 157193776) has the molecular formula C135H160F3N35O3S6 and a molecular weight of 2570.40 g/mol. Its IUPAC name is 6-(4-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;N-[2-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;7-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrimidin-2-amine;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name6-(4-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;N-[2-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;7-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrimidin-2-amine;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID157193776
Molecular FormulaC135H160F3N35O3S6
Molecular Weight2570.40 g/mol
Exact Mass2568.17
IUPAC Name6-(4-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;N-[2-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;7-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrimidin-2-amine;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(=O)Nc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)c1.CC(=O)Nc1ccccc1-c1cnc2nc(N3CCC(N4CCCCC4)CC3)sc2c1.Cc1ccncc1-c1cnc2nc(N3CCC(N4CCCCC4)CC3)sc2c1.Nc1ncc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)c(C(F)(F)F)n1.Nc1ncc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)cn1.O=c1ccnc2ccc(-c3cc4sc(N5CCC(N6CCCCC6)CC5)nc4cn3)cn12
InChIInChI=1S/C24H26N6OS.2C24H29N5OS.C22H27N5S.C21H24F3N7S.C20H25N7S/c31-23-6-9-25-22-5-4-17(16-30(22)23)19-14-21-20(15-26-19)27-24(32-21)29-12-7-18(8-13-29)28-10-2-1-3-11-28;1-17(30)26-21-8-4-3-7-20(21)18-15-22-23(25-16-18)27-24(31-22)29-13-9-19(10-14-29)28-11-5-2-6-12-28;1-17(30)26-20-7-5-6-18(14-20)19-15-22-23(25-16-19)27-24(31-22)29-12-8-21(9-13-29)28-10-3-2-4-11-28;1-16-5-8-23-15-19(16)17-13-20-21(24-14-17)25-22(28-20)27-11-6-18(7-12-27)26-9-3-2-4-10-26;22-21(23,24)18-14(11-27-19(25)29-18)15-10-17-16(12-26-15)28-20(32-17)31-8-4-13(5-9-31)30-6-2-1-3-7-30;21-19-23-11-14(12-24-19)16-10-18-17(13-22-16)25-20(28-18)27-8-4-15(5-9-27)26-6-2-1-3-7-26/h4-6,9,14-16,18H,1-3,7-8,10-13H2;3-4,7-8,15-16,19H,2,5-6,9-14H2,1H3,(H,26,30);5-7,14-16,21H,2-4,8-13H2,1H3,(H,26,30);5,8,13-15,18H,2-4,6-7,9-12H2,1H3;10-13H,1-9H2,(H2,25,27,29);10-13,15H,1-9H2,(H2,21,23,24)
InChIKeyAPZSGPNZYPXDES-UHFFFAOYSA-N
XLogP25.27
TPSA402.62 Ų
H-Bond Donors4
H-Bond Acceptors42
Rotatable Bonds20
Heavy Atoms182
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002570.40
LogP ≤ 525.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1042

Analyze 6-(4-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;N-[2-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;7-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrimidin-2-amine;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine with MolForge

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Related Compounds

(E)-N-(1,3-benzothiazol-6-yl)-3-(6-tert-butyl-3-pyridinyl)prop-2-enamide;(E)-3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)prop-2-enamide;(E)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylprop-2-enamide
CID 157061992
CID 157079386
CID 157079386
1-[4-[2-[3,5-Bis(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]piperidin-1-yl]-2-imidazo[4,5-c]pyridin-1-ylethanone;1-[4-[2-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]piperidin-1-yl]-2-imidazo[4,5-c]pyridin-3-ylethanone;methane
CID 157674150
2-(4-ethyl-2-fluorophenyl)-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;bis(2-(4-ethylphenyl)-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone);2-(1H-indol-6-yl)-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;2-[4-(5-methylidenepyrrolidin-2-yl)phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 157995868
1-[3-(5-Amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-2-ylurea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-pyridin-3-ylurea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea;1-[3-(5-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;methane
CID 158219104
(9S)-5-[2-(dimethylamino)-4-pyridinyl]-N-pyridin-2-yl-1,4,6,8-tetrazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide;(9S)-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-[3-(trifluoromethyl)phenyl]-1,4,6,8-tetrazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide;(9S)-3-methyl-5-(2-methyl-4-pyridinyl)-N-pyridin-2-yl-1,4,6,8-tetrazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide;(9S)-3-methyl-5-(6-methyl-3-pyridinyl)-N-pyridin-2-yl-1,4,6,8-tetrazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxamide
CID 158475785
2-(8-cyclopropyl-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-(1,3-diethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-[8-(dimethylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]-N-(4-thiophen-3-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxo-8-phenylpurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-[1,3-dimethyl-2,6-dioxo-8-(trifluoromethyl)purin-7-yl]-N-(4-thiophen-3-ylphenyl)acetamide;2-(2,6-dioxo-3H-purin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;N-[4-(1,3-thiazol-2-yl)phenyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide
CID 158591116
N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
CID 158823390
1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;N-[4-[2-[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 158932726
2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
CID 159736884
1-[2-(6-amino-3-pyridinyl)ethyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;N-[5-[2-[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]-2-pyridinyl]prop-2-enamide;methane
CID 160322471
1-(4H-imidazol-2-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[(1-methylimidazol-2-yl)methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-(2H-pyrrol-4-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-(3H-pyrrol-5-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
CID 160336757

Frequently Asked Questions

What is the IUPAC name of 6-(4-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;N-[2-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;7-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrimidin-2-amine;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 6-(4-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;N-[2-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;7-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrimidin-2-amine;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 157193776) is 6-(4-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;N-[2-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;7-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrimidin-2-amine;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 6-(4-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;N-[2-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;7-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrimidin-2-amine;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 6-(4-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;N-[2-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;7-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrimidin-2-amine;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine is CC(=O)Nc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)c1.CC(=O)Nc1ccccc1-c1cnc2nc(N3CCC(N4CCCCC4)CC3)sc2c1.Cc1ccncc1-c1cnc2nc(N3CCC(N4CCCCC4)CC3)sc2c1.Nc1ncc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)c(C(F)(F)F)n1.Nc1ncc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)cn1.O=c1ccnc2ccc(-c3cc4sc(N5CCC(N6CCCCC6)CC5)nc4cn3)cn12.
What is the InChIKey of 6-(4-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;N-[2-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;7-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrimidin-2-amine;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is APZSGPNZYPXDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6OS.2C24H29N5OS.C22H27N5S.C21H24F3N7S.C20H25N7S/c31-23-6-9-25-22-5-4-17(16-30(22)23)19-14-21-20(15-26-19)27-24(32-21)29-12-7-18(8-13-29)28-10-2-1-3-11-28;1-17(30)26-21-8-4-3-7-20(21)18-15-22-23(25-16-18)27-24(31-22)29-13-9-19(10-14-29)28-11-5-2-6-12-28;1-17(30)26-20-7-5-6-18(14-20)19-15-22-23(25-16-19)27-24(31-22)29-12-8-21(9-13-29)28-10-3-2-4-11-28;1-16-5-8-23-15-19(16)17-13-20-21(24-14-17)25-22(28-20)27-11-6-18(7-12-27)26-9-3-2-4-10-26;22-21(23,24)18-14(11-27-19(25)29-18)15-10-17-16(12-26-15)28-20(32-17)31-8-4-13(5-9-31)30-6-2-1-3-7-30;21-19-23-11-14(12-24-19)16-10-18-17(13-22-16)25-20(28-18)27-8-4-15(5-9-27)26-6-2-1-3-7-26/h4-6,9,14-16,18H,1-3,7-8,10-13H2;3-4,7-8,15-16,19H,2,5-6,9-14H2,1H3,(H,26,30);5-7,14-16,21H,2-4,8-13H2,1H3,(H,26,30);5,8,13-15,18H,2-4,6-7,9-12H2,1H3;10-13H,1-9H2,(H2,25,27,29);10-13,15H,1-9H2,(H2,21,23,24).
What are the key properties of 6-(4-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;N-[2-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;7-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrimidin-2-amine;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
6-(4-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;N-[2-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;7-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrimidin-2-amine;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 2570.40 g/mol, XLogP of 25.27, 20 rotatable bonds, 4 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;N-[2-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;7-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrimidin-2-amine;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 157193776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).