2-[6-[(3R)-3-fluoropiperidin-1-yl]-3-pyridinyl]-6-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine;6-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-2-(2H-pyrrol-4-yl)thieno[2,3-b]pyridine;4-[2-(1-propylpyrazol-4-yl)-1,3-benzothiazol-6-yl]morpholin-3-one;4-propyl-1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperazin-2-one;1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidin-2-one

C101H107F2N23O4S5 — CID 158969021

IUPAC2-[6-[(3R)-3-fluoropiperidin-1-yl]-3-pyridinyl]-6-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine;6-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-2-(2H-pyrrol-4-yl)thieno[2,3-b]pyridine;4-[2-(1-propylpyrazol-4-yl)-1,3-benzothiazol-6-yl]morpholin-3-one;4-propyl-1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperazin-2-one;1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidin-2-one
SMILESCCCN1CCN(c2ccc3nc(-c4ccc(N5CCCC5)nc4)sc3c2)C(=O)C1.CCCn1cc(-c2nc3ccc(N4CCOCC4=O)cc3s2)cn1.F[C@@H]1CCCN(c2ccc(-c3nc4ncc(N5CCCCC5)cc4s3)cn2)C1.F[C@@H]1CCN(c2ccc(-c3ccc4cc(C5=CCN=C5)sc4n3)cn2)C1.O=C1CCCCN1c1cnc2nc(-c3ccc(N4CCCC4)nc3)sc2c1
InChIInChI=1S/C23H27N5OS.C21H24FN5S.C20H17FN4S.C20H21N5OS.C17H18N4O2S/c1-2-9-26-12-13-28(22(29)16-26)18-6-7-19-20(14-18)30-23(25-19)17-5-8-21(24-15-17)27-10-3-4-11-27;22-16-5-4-10-27(14-16)19-7-6-15(12-23-19)21-25-20-18(28-21)11-17(13-24-20)26-8-2-1-3-9-26;21-16-6-8-25(12-16)19-4-2-14(11-23-19)17-3-1-13-9-18(26-20(13)24-17)15-5-7-22-10-15;26-18-5-1-2-10-25(18)15-11-16-19(22-13-15)23-20(27-16)14-6-7-17(21-12-14)24-8-3-4-9-24;1-2-5-20-10-12(9-18-20)17-19-14-4-3-13(8-15(14)24-17)21-6-7-23-11-16(21)22/h5-8,14-15H,2-4,9-13,16H2,1H3;6-7,11-13,16H,1-5,8-10,14H2;1-5,9-11,16H,6-8,12H2;6-7,11-13H,1-5,8-10H2;3-4,8-10H,2,5-7,11H2,1H3/t;2*16-;;/m.11../s1
InChIKeyJNOJRUCNMKDNMB-FAXBQKISSA-N
MW1905.45 g/mol
LogP19.88
Rot. Bonds18

About 2-[6-[(3R)-3-fluoropiperidin-1-yl]-3-pyridinyl]-6-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine;6-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-2-(2H-pyrrol-4-yl)thieno[2,3-b]pyridine;4-[2-(1-propylpyrazol-4-yl)-1,3-benzothiazol-6-yl]morpholin-3-one;4-propyl-1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperazin-2-one;1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidin-2-one

2-[6-[(3R)-3-fluoropiperidin-1-yl]-3-pyridinyl]-6-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine;6-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-2-(2H-pyrrol-4-yl)thieno[2,3-b]pyridine;4-[2-(1-propylpyrazol-4-yl)-1,3-benzothiazol-6-yl]morpholin-3-one;4-propyl-1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperazin-2-one;1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidin-2-one (PubChem CID 158969021) has the molecular formula C101H107F2N23O4S5 and a molecular weight of 1905.45 g/mol. Its IUPAC name is 2-[6-[(3R)-3-fluoropiperidin-1-yl]-3-pyridinyl]-6-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine;6-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-2-(2H-pyrrol-4-yl)thieno[2,3-b]pyridine;4-[2-(1-propylpyrazol-4-yl)-1,3-benzothiazol-6-yl]morpholin-3-one;4-propyl-1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperazin-2-one;1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidin-2-one.

Molecular Properties

Compound Name2-[6-[(3R)-3-fluoropiperidin-1-yl]-3-pyridinyl]-6-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine;6-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-2-(2H-pyrrol-4-yl)thieno[2,3-b]pyridine;4-[2-(1-propylpyrazol-4-yl)-1,3-benzothiazol-6-yl]morpholin-3-one;4-propyl-1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperazin-2-one;1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidin-2-one
PubChem CID158969021
Molecular FormulaC101H107F2N23O4S5
Molecular Weight1905.45 g/mol
Exact Mass1903.74
IUPAC Name2-[6-[(3R)-3-fluoropiperidin-1-yl]-3-pyridinyl]-6-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine;6-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-2-(2H-pyrrol-4-yl)thieno[2,3-b]pyridine;4-[2-(1-propylpyrazol-4-yl)-1,3-benzothiazol-6-yl]morpholin-3-one;4-propyl-1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperazin-2-one;1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidin-2-one
SMILESCCCN1CCN(c2ccc3nc(-c4ccc(N5CCCC5)nc4)sc3c2)C(=O)C1.CCCn1cc(-c2nc3ccc(N4CCOCC4=O)cc3s2)cn1.F[C@@H]1CCCN(c2ccc(-c3nc4ncc(N5CCCCC5)cc4s3)cn2)C1.F[C@@H]1CCN(c2ccc(-c3ccc4cc(C5=CCN=C5)sc4n3)cn2)C1.O=C1CCCCN1c1cnc2nc(-c3ccc(N4CCCC4)nc3)sc2c1
InChIInChI=1S/C23H27N5OS.C21H24FN5S.C20H17FN4S.C20H21N5OS.C17H18N4O2S/c1-2-9-26-12-13-28(22(29)16-26)18-6-7-19-20(14-18)30-23(25-19)17-5-8-21(24-15-17)27-10-3-4-11-27;22-16-5-4-10-27(14-16)19-7-6-15(12-23-19)21-25-20-18(28-21)11-17(13-24-20)26-8-2-1-3-9-26;21-16-6-8-25(12-16)19-4-2-14(11-23-19)17-3-1-13-9-18(26-20(13)24-17)15-5-7-22-10-15;26-18-5-1-2-10-25(18)15-11-16-19(22-13-15)23-20(27-16)14-6-7-17(21-12-14)24-8-3-4-9-24;1-2-5-20-10-12(9-18-20)17-19-14-4-3-13(8-15(14)24-17)21-6-7-23-11-16(21)22/h5-8,14-15H,2-4,9-13,16H2,1H3;6-7,11-13,16H,1-5,8-10,14H2;1-5,9-11,16H,6-8,12H2;6-7,11-13H,1-5,8-10H2;3-4,8-10H,2,5-7,11H2,1H3/t;2*16-;;/m.11../s1
InChIKeyJNOJRUCNMKDNMB-FAXBQKISSA-N
XLogP19.88
TPSA261.57 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds18
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001905.45
LogP ≤ 519.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 2-[6-[(3R)-3-fluoropiperidin-1-yl]-3-pyridinyl]-6-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine;6-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-2-(2H-pyrrol-4-yl)thieno[2,3-b]pyridine;4-[2-(1-propylpyrazol-4-yl)-1,3-benzothiazol-6-yl]morpholin-3-one;4-propyl-1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperazin-2-one;1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidin-2-one with MolForge

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Related Compounds

N-[2-(dimethylamino)ethyl]-7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxetan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(3-pyrazol-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 159155743
N-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-2-(6-morpholin-4-yl-2-pyridin-2-ylpurin-7-yl)acetamide;6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;2-(6-morpholin-4-yl-2-pyridin-2-ylpurin-7-yl)acetamide;7-phenyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine;4-[2-pyridin-2-yl-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 160558567
5-(2,4-dimethyl-1H-pyrrol-3-yl)-2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine;2-[6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-5-(1H-pyrrol-3-yl)-[1,3]thiazolo[4,5-b]pyridine;5-(4-fluoro-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole;1-[2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-1,3-benzothiazol-6-yl]piperidin-2-one;1-[2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-1,3-benzothiazol-6-yl]piperidin-2-one;2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-(1H-pyrrol-3-yl)-[1,3]thiazolo[4,5-b]pyridine;5-(1-methylpyrazol-4-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole;4-methyl-1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperazin-2-one
CID 157602204
1-[2-[6-[(3R)-3-fluoropiperidin-1-yl]-3-pyridinyl]-1,3-benzothiazol-6-yl]piperidin-2-one;1-[2-[6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-1,3-benzothiazol-6-yl]piperidin-2-one;2-[6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-5-imidazol-1-yl-[1,3]thiazolo[4,5-b]pyridine;5-(2-fluoro-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine;2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-(2-methylpyrazol-3-yl)-[1,3]thiazolo[4,5-b]pyridine;2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-(1H-pyrrol-3-yl)-[1,3]thiazolo[4,5-b]pyridine;5-(6-methyl-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine
CID 157840206
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
(5S)-2-[3-(4-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(5-fluoro-2-pyridinyl)-1H-indazol-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(5-fluoro-2-pyridinyl)-1H-indazol-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 158210896
CID 158376862
CID 158376862
(3S)-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(1-pyrimidin-2-ylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide
CID 158582666
7-(3,3-dimethyl-2H-indol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxetan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(3-pyrazol-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 158829967
1-[4-[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]-2-methoxyethanone;2-methoxy-1-[4-[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperidin-1-yl]ethanone;1-[[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]pyrrolidin-2-one;5-pyridin-4-yl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;1-[[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]methyl]pyrrolidin-2-one;5-pyrimidin-5-yl-N-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 159017326
N,N-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide;(4-methylpiperazin-1-yl)-[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]methanone;2-(4-methylpiperazin-1-yl)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole;5-[1-(2-methylpropyl)pyrazol-4-yl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;morpholin-4-yl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone
CID 160039209

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3R)-3-fluoropiperidin-1-yl]-3-pyridinyl]-6-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine;6-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-2-(2H-pyrrol-4-yl)thieno[2,3-b]pyridine;4-[2-(1-propylpyrazol-4-yl)-1,3-benzothiazol-6-yl]morpholin-3-one;4-propyl-1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperazin-2-one;1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidin-2-one?
The IUPAC name of 2-[6-[(3R)-3-fluoropiperidin-1-yl]-3-pyridinyl]-6-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine;6-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-2-(2H-pyrrol-4-yl)thieno[2,3-b]pyridine;4-[2-(1-propylpyrazol-4-yl)-1,3-benzothiazol-6-yl]morpholin-3-one;4-propyl-1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperazin-2-one;1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidin-2-one (CID 158969021) is 2-[6-[(3R)-3-fluoropiperidin-1-yl]-3-pyridinyl]-6-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine;6-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-2-(2H-pyrrol-4-yl)thieno[2,3-b]pyridine;4-[2-(1-propylpyrazol-4-yl)-1,3-benzothiazol-6-yl]morpholin-3-one;4-propyl-1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperazin-2-one;1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidin-2-one.
What is the SMILES notation for 2-[6-[(3R)-3-fluoropiperidin-1-yl]-3-pyridinyl]-6-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine;6-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-2-(2H-pyrrol-4-yl)thieno[2,3-b]pyridine;4-[2-(1-propylpyrazol-4-yl)-1,3-benzothiazol-6-yl]morpholin-3-one;4-propyl-1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperazin-2-one;1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidin-2-one?
The canonical SMILES for 2-[6-[(3R)-3-fluoropiperidin-1-yl]-3-pyridinyl]-6-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine;6-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-2-(2H-pyrrol-4-yl)thieno[2,3-b]pyridine;4-[2-(1-propylpyrazol-4-yl)-1,3-benzothiazol-6-yl]morpholin-3-one;4-propyl-1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperazin-2-one;1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidin-2-one is CCCN1CCN(c2ccc3nc(-c4ccc(N5CCCC5)nc4)sc3c2)C(=O)C1.CCCn1cc(-c2nc3ccc(N4CCOCC4=O)cc3s2)cn1.F[C@@H]1CCCN(c2ccc(-c3nc4ncc(N5CCCCC5)cc4s3)cn2)C1.F[C@@H]1CCN(c2ccc(-c3ccc4cc(C5=CCN=C5)sc4n3)cn2)C1.O=C1CCCCN1c1cnc2nc(-c3ccc(N4CCCC4)nc3)sc2c1.
What is the InChIKey of 2-[6-[(3R)-3-fluoropiperidin-1-yl]-3-pyridinyl]-6-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine;6-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-2-(2H-pyrrol-4-yl)thieno[2,3-b]pyridine;4-[2-(1-propylpyrazol-4-yl)-1,3-benzothiazol-6-yl]morpholin-3-one;4-propyl-1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperazin-2-one;1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidin-2-one?
The InChIKey is JNOJRUCNMKDNMB-FAXBQKISSA-N. The full InChI is InChI=1S/C23H27N5OS.C21H24FN5S.C20H17FN4S.C20H21N5OS.C17H18N4O2S/c1-2-9-26-12-13-28(22(29)16-26)18-6-7-19-20(14-18)30-23(25-19)17-5-8-21(24-15-17)27-10-3-4-11-27;22-16-5-4-10-27(14-16)19-7-6-15(12-23-19)21-25-20-18(28-21)11-17(13-24-20)26-8-2-1-3-9-26;21-16-6-8-25(12-16)19-4-2-14(11-23-19)17-3-1-13-9-18(26-20(13)24-17)15-5-7-22-10-15;26-18-5-1-2-10-25(18)15-11-16-19(22-13-15)23-20(27-16)14-6-7-17(21-12-14)24-8-3-4-9-24;1-2-5-20-10-12(9-18-20)17-19-14-4-3-13(8-15(14)24-17)21-6-7-23-11-16(21)22/h5-8,14-15H,2-4,9-13,16H2,1H3;6-7,11-13,16H,1-5,8-10,14H2;1-5,9-11,16H,6-8,12H2;6-7,11-13H,1-5,8-10H2;3-4,8-10H,2,5-7,11H2,1H3/t;2*16-;;/m.11../s1.
What are the key properties of 2-[6-[(3R)-3-fluoropiperidin-1-yl]-3-pyridinyl]-6-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine;6-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-2-(2H-pyrrol-4-yl)thieno[2,3-b]pyridine;4-[2-(1-propylpyrazol-4-yl)-1,3-benzothiazol-6-yl]morpholin-3-one;4-propyl-1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperazin-2-one;1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidin-2-one?
2-[6-[(3R)-3-fluoropiperidin-1-yl]-3-pyridinyl]-6-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine;6-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-2-(2H-pyrrol-4-yl)thieno[2,3-b]pyridine;4-[2-(1-propylpyrazol-4-yl)-1,3-benzothiazol-6-yl]morpholin-3-one;4-propyl-1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperazin-2-one;1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidin-2-one has a molecular weight of 1905.45 g/mol, XLogP of 19.88, 18 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3R)-3-fluoropiperidin-1-yl]-3-pyridinyl]-6-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine;6-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-2-(2H-pyrrol-4-yl)thieno[2,3-b]pyridine;4-[2-(1-propylpyrazol-4-yl)-1,3-benzothiazol-6-yl]morpholin-3-one;4-propyl-1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperazin-2-one;1-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]piperidin-2-one is sourced from PubChem (CID 158969021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).