5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-(3-phenylpropyl)pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]indazole-6-carboxamide

C198H182F11N35O20S7 — CID 165033147

IUPAC5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-(3-phenylpropyl)pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]indazole-6-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccn3nc(N)nc3c2)c2cnn(C)c2c1)c1ccccc1OC(F)(F)F.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)N1CCC[C@@H](Cc2ccc(F)cc2)C1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)N1CCC[C@H](Cc2ccc(F)cc2)C1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCCCc1ccccc1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1c(F)cccc1OC1CCCC1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1cc(F)ccc1OC1CCCC1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1cc(OC(F)(F)F)ccc1F.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1ccccc1OCC1CC1
InChIInChI=1S/2C26H25FN4O3S.2C26H25FN4O2S.C25H24N4O3S.C24H20F3N7O2.C23H22N4O2S.C22H16F4N4O3S/c1-33-25-18(11-16(13-30-25)15-9-10-21-23(12-15)35-26(28)31-21)24(32)29-14-19-20(27)7-4-8-22(19)34-17-5-2-3-6-17;1-33-25-20(11-16(13-30-25)15-6-8-21-23(12-15)35-26(28)31-21)24(32)29-14-17-10-18(27)7-9-22(17)34-19-4-2-3-5-19;2*1-33-24-21(12-19(14-29-24)18-6-9-22-23(13-18)34-26(28)30-22)25(32)31-10-2-3-17(15-31)11-16-4-7-20(27)8-5-16;1-31-24-19(10-18(13-28-24)16-8-9-20-22(11-16)33-25(26)29-20)23(30)27-12-17-4-2-3-5-21(17)32-14-15-6-7-15;1-13(16-5-3-4-6-20(16)36-24(25,26)27)30-22(35)15-9-17(18-12-29-33(2)19(18)10-15)14-7-8-34-21(11-14)31-23(28)32-34;1-29-22-18(21(28)25-11-5-8-15-6-3-2-4-7-15)12-17(14-26-22)16-9-10-19-20(13-16)30-23(24)27-19;1-32-20-15(7-12(9-29-20)11-2-5-17-18(8-11)34-21(27)30-17)19(31)28-10-13-6-14(3-4-16(13)23)33-22(24,25)26/h4,7-13,17H,2-3,5-6,14H2,1H3,(H2,28,31)(H,29,32);6-13,19H,2-5,14H2,1H3,(H2,28,31)(H,29,32);2*4-9,12-14,17H,2-3,10-11,15H2,1H3,(H2,28,30);2-5,8-11,13,15H,6-7,12,14H2,1H3,(H2,26,29)(H,27,30);3-13H,1-2H3,(H2,28,32)(H,30,35);2-4,6-7,9-10,12-14H,5,8,11H2,1H3,(H2,24,27)(H,25,28);2-9H,10H2,1H3,(H2,27,30)(H,28,31)/t;;2*17-;;;;/m..10..../s1
InChIKeyMYXJDCRLZVKZGH-KOHAXACBSA-N
MW3805.31 g/mol
LogP39.20
Rot. Bonds50

About 5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-(3-phenylpropyl)pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]indazole-6-carboxamide

5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-(3-phenylpropyl)pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]indazole-6-carboxamide (PubChem CID 165033147) has the molecular formula C198H182F11N35O20S7 and a molecular weight of 3805.31 g/mol. Its IUPAC name is 5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-(3-phenylpropyl)pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]indazole-6-carboxamide.

Molecular Properties

Compound Name5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-(3-phenylpropyl)pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]indazole-6-carboxamide
PubChem CID165033147
Molecular FormulaC198H182F11N35O20S7
Molecular Weight3805.31 g/mol
Exact Mass3802.22
IUPAC Name5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-(3-phenylpropyl)pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]indazole-6-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccn3nc(N)nc3c2)c2cnn(C)c2c1)c1ccccc1OC(F)(F)F.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)N1CCC[C@@H](Cc2ccc(F)cc2)C1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)N1CCC[C@H](Cc2ccc(F)cc2)C1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCCCc1ccccc1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1c(F)cccc1OC1CCCC1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1cc(F)ccc1OC1CCCC1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1cc(OC(F)(F)F)ccc1F.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1ccccc1OCC1CC1
InChIInChI=1S/2C26H25FN4O3S.2C26H25FN4O2S.C25H24N4O3S.C24H20F3N7O2.C23H22N4O2S.C22H16F4N4O3S/c1-33-25-18(11-16(13-30-25)15-9-10-21-23(12-15)35-26(28)31-21)24(32)29-14-19-20(27)7-4-8-22(19)34-17-5-2-3-6-17;1-33-25-20(11-16(13-30-25)15-6-8-21-23(12-15)35-26(28)31-21)24(32)29-14-17-10-18(27)7-9-22(17)34-19-4-2-3-5-19;2*1-33-24-21(12-19(14-29-24)18-6-9-22-23(13-18)34-26(28)30-22)25(32)31-10-2-3-17(15-31)11-16-4-7-20(27)8-5-16;1-31-24-19(10-18(13-28-24)16-8-9-20-22(11-16)33-25(26)29-20)23(30)27-12-17-4-2-3-5-21(17)32-14-15-6-7-15;1-13(16-5-3-4-6-20(16)36-24(25,26)27)30-22(35)15-9-17(18-12-29-33(2)19(18)10-15)14-7-8-34-21(11-14)31-23(28)32-34;1-29-22-18(21(28)25-11-5-8-15-6-3-2-4-7-15)12-17(14-26-22)16-9-10-19-20(13-16)30-23(24)27-19;1-32-20-15(7-12(9-29-20)11-2-5-17-18(8-11)34-21(27)30-17)19(31)28-10-13-6-14(3-4-16(13)23)33-22(24,25)26/h4,7-13,17H,2-3,5-6,14H2,1H3,(H2,28,31)(H,29,32);6-13,19H,2-5,14H2,1H3,(H2,28,31)(H,29,32);2*4-9,12-14,17H,2-3,10-11,15H2,1H3,(H2,28,30);2-5,8-11,13,15H,6-7,12,14H2,1H3,(H2,26,29)(H,27,30);3-13H,1-2H3,(H2,28,32)(H,30,35);2-4,6-7,9-10,12-14H,5,8,11H2,1H3,(H2,24,27)(H,25,28);2-9H,10H2,1H3,(H2,27,30)(H,28,31)/t;;2*17-;;;;/m..10..../s1
InChIKeyMYXJDCRLZVKZGH-KOHAXACBSA-N
XLogP39.20
TPSA762.61 Ų
H-Bond Donors14
H-Bond Acceptors54
Rotatable Bonds50
Heavy Atoms271
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003805.31
LogP ≤ 539.20
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

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

Analyze 5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-(3-phenylpropyl)pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]indazole-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-(3-phenylpropyl)pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]indazole-6-carboxamide?
The IUPAC name of 5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-(3-phenylpropyl)pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]indazole-6-carboxamide (CID 165033147) is 5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-(3-phenylpropyl)pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]indazole-6-carboxamide.
What is the SMILES notation for 5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-(3-phenylpropyl)pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]indazole-6-carboxamide?
The canonical SMILES for 5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-(3-phenylpropyl)pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]indazole-6-carboxamide is CC(NC(=O)c1cc(-c2ccn3nc(N)nc3c2)c2cnn(C)c2c1)c1ccccc1OC(F)(F)F.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)N1CCC[C@@H](Cc2ccc(F)cc2)C1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)N1CCC[C@H](Cc2ccc(F)cc2)C1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCCCc1ccccc1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1c(F)cccc1OC1CCCC1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1cc(F)ccc1OC1CCCC1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1cc(OC(F)(F)F)ccc1F.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1ccccc1OCC1CC1.
What is the InChIKey of 5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-(3-phenylpropyl)pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]indazole-6-carboxamide?
The InChIKey is MYXJDCRLZVKZGH-KOHAXACBSA-N. The full InChI is InChI=1S/2C26H25FN4O3S.2C26H25FN4O2S.C25H24N4O3S.C24H20F3N7O2.C23H22N4O2S.C22H16F4N4O3S/c1-33-25-18(11-16(13-30-25)15-9-10-21-23(12-15)35-26(28)31-21)24(32)29-14-19-20(27)7-4-8-22(19)34-17-5-2-3-6-17;1-33-25-20(11-16(13-30-25)15-6-8-21-23(12-15)35-26(28)31-21)24(32)29-14-17-10-18(27)7-9-22(17)34-19-4-2-3-5-19;2*1-33-24-21(12-19(14-29-24)18-6-9-22-23(13-18)34-26(28)30-22)25(32)31-10-2-3-17(15-31)11-16-4-7-20(27)8-5-16;1-31-24-19(10-18(13-28-24)16-8-9-20-22(11-16)33-25(26)29-20)23(30)27-12-17-4-2-3-5-21(17)32-14-15-6-7-15;1-13(16-5-3-4-6-20(16)36-24(25,26)27)30-22(35)15-9-17(18-12-29-33(2)19(18)10-15)14-7-8-34-21(11-14)31-23(28)32-34;1-29-22-18(21(28)25-11-5-8-15-6-3-2-4-7-15)12-17(14-26-22)16-9-10-19-20(13-16)30-23(24)27-19;1-32-20-15(7-12(9-29-20)11-2-5-17-18(8-11)34-21(27)30-17)19(31)28-10-13-6-14(3-4-16(13)23)33-22(24,25)26/h4,7-13,17H,2-3,5-6,14H2,1H3,(H2,28,31)(H,29,32);6-13,19H,2-5,14H2,1H3,(H2,28,31)(H,29,32);2*4-9,12-14,17H,2-3,10-11,15H2,1H3,(H2,28,30);2-5,8-11,13,15H,6-7,12,14H2,1H3,(H2,26,29)(H,27,30);3-13H,1-2H3,(H2,28,32)(H,30,35);2-4,6-7,9-10,12-14H,5,8,11H2,1H3,(H2,24,27)(H,25,28);2-9H,10H2,1H3,(H2,27,30)(H,28,31)/t;;2*17-;;;;/m..10..../s1.
What are the key properties of 5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-(3-phenylpropyl)pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]indazole-6-carboxamide?
5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-(3-phenylpropyl)pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]indazole-6-carboxamide has a molecular weight of 3805.31 g/mol, XLogP of 39.20, 50 rotatable bonds, 14 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-(3-phenylpropyl)pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]indazole-6-carboxamide is sourced from PubChem (CID 165033147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).