5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(1,1-dideuterio-2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-(3-hydroxy-3-methylazetidine-1-carbonyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)methylamino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)methylamino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide

C150H214F2N30O18S6 — CID 157417007

IUPAC5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(1,1-dideuterio-2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-(3-hydroxy-3-methylazetidine-1-carbonyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)methylamino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)methylamino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
SMILESCC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@@H](C)C(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1.CC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@H](C)C(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)N2CC(C)(O)C2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NCC2(C)CCC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CC(F)(F)C[C@@H]1C.Cc1cc(NCC2(C)CCC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.[2H]C([2H])(NC(=O)c1nc(C(=O)N2CCC[C@@H]2C)c(-c2cnc(N[C@H](C)CC)cc2C)s1)C(C)(C)O
InChIInChI=1S/C26H35F2N5O3S.C26H37N5O3S.2C25H37N5O3S.C24H33N5O3S.C24H35N5O3S/c1-15-9-18(30-13-25(5)7-6-8-25)29-11-17(15)20-19(23(35)33-14-26(27,28)10-16(33)2)32-22(37-20)21(34)31-12-24(3,4)36;1-16-12-19(28-15-26(5)9-7-10-26)27-13-18(16)21-20(24(33)31-11-6-8-17(31)2)30-23(35-21)22(32)29-14-25(3,4)34;2*1-8-15(3)27-19-12-14(2)18(13-26-19)21-20(24(32)30-11-9-10-16(30)4)29-23(34-21)22(31)28-17(5)25(6,7)33;1-14-10-17(27-23(3,4)5)25-11-16(14)19-18(21(30)29-9-7-8-15(29)2)26-20(33-19)22(31)28-12-24(6,32)13-28;1-7-15(3)27-18-11-14(2)17(12-25-18)20-19(23(31)29-10-8-9-16(29)4)28-22(33-20)21(30)26-13-24(5,6)32/h9,11,16,36H,6-8,10,12-14H2,1-5H3,(H,29,30)(H,31,34);12-13,17,34H,6-11,14-15H2,1-5H3,(H,27,28)(H,29,32);2*12-13,15-17,33H,8-11H2,1-7H3,(H,26,27)(H,28,31);10-11,15,32H,7-9,12-13H2,1-6H3,(H,25,27);11-12,15-16,32H,7-10,13H2,1-6H3,(H,25,27)(H,26,30)/t16-;17-;15-,16+,17+;15-,16+,17-;15-;15-,16+/m001101/s1/i;;;;;13D2
InChIKeyBOYVCLMHHUHZKJ-DVRDKUMXSA-N
MW2957.96 g/mol
LogP24.61
Rot. Bonds44

About 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(1,1-dideuterio-2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-(3-hydroxy-3-methylazetidine-1-carbonyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)methylamino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)methylamino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide

5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(1,1-dideuterio-2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-(3-hydroxy-3-methylazetidine-1-carbonyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)methylamino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)methylamino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide (PubChem CID 157417007) has the molecular formula C150H214F2N30O18S6 and a molecular weight of 2957.96 g/mol. Its IUPAC name is 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(1,1-dideuterio-2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-(3-hydroxy-3-methylazetidine-1-carbonyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)methylamino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)methylamino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(1,1-dideuterio-2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-(3-hydroxy-3-methylazetidine-1-carbonyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)methylamino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)methylamino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
PubChem CID157417007
Molecular FormulaC150H214F2N30O18S6
Molecular Weight2957.96 g/mol
Exact Mass2955.52
IUPAC Name5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(1,1-dideuterio-2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-(3-hydroxy-3-methylazetidine-1-carbonyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)methylamino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)methylamino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
SMILESCC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@@H](C)C(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1.CC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@H](C)C(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)N2CC(C)(O)C2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NCC2(C)CCC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CC(F)(F)C[C@@H]1C.Cc1cc(NCC2(C)CCC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.[2H]C([2H])(NC(=O)c1nc(C(=O)N2CCC[C@@H]2C)c(-c2cnc(N[C@H](C)CC)cc2C)s1)C(C)(C)O
InChIInChI=1S/C26H35F2N5O3S.C26H37N5O3S.2C25H37N5O3S.C24H33N5O3S.C24H35N5O3S/c1-15-9-18(30-13-25(5)7-6-8-25)29-11-17(15)20-19(23(35)33-14-26(27,28)10-16(33)2)32-22(37-20)21(34)31-12-24(3,4)36;1-16-12-19(28-15-26(5)9-7-10-26)27-13-18(16)21-20(24(33)31-11-6-8-17(31)2)30-23(35-21)22(32)29-14-25(3,4)34;2*1-8-15(3)27-19-12-14(2)18(13-26-19)21-20(24(32)30-11-9-10-16(30)4)29-23(34-21)22(31)28-17(5)25(6,7)33;1-14-10-17(27-23(3,4)5)25-11-16(14)19-18(21(30)29-9-7-8-15(29)2)26-20(33-19)22(31)28-12-24(6,32)13-28;1-7-15(3)27-18-11-14(2)17(12-25-18)20-19(23(31)29-10-8-9-16(29)4)28-22(33-20)21(30)26-13-24(5,6)32/h9,11,16,36H,6-8,10,12-14H2,1-5H3,(H,29,30)(H,31,34);12-13,17,34H,6-11,14-15H2,1-5H3,(H,27,28)(H,29,32);2*12-13,15-17,33H,8-11H2,1-7H3,(H,26,27)(H,28,31);10-11,15,32H,7-9,12-13H2,1-6H3,(H,25,27);11-12,15-16,32H,7-10,13H2,1-6H3,(H,25,27)(H,26,30)/t16-;17-;15-,16+,17+;15-,16+,17-;15-;15-,16+/m001101/s1/i;;;;;13D2
InChIKeyBOYVCLMHHUHZKJ-DVRDKUMXSA-N
XLogP24.61
TPSA635.91 Ų
H-Bond Donors17
H-Bond Acceptors42
Rotatable Bonds44
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002957.96
LogP ≤ 524.61
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1042

Analyze 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(1,1-dideuterio-2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-(3-hydroxy-3-methylazetidine-1-carbonyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)methylamino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)methylamino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(1,1-dideuterio-2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-(3-hydroxy-3-methylazetidine-1-carbonyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)methylamino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)methylamino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(1,1-dideuterio-2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-(3-hydroxy-3-methylazetidine-1-carbonyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)methylamino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)methylamino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide (CID 157417007) is 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(1,1-dideuterio-2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-(3-hydroxy-3-methylazetidine-1-carbonyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)methylamino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)methylamino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(1,1-dideuterio-2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-(3-hydroxy-3-methylazetidine-1-carbonyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)methylamino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)methylamino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(1,1-dideuterio-2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-(3-hydroxy-3-methylazetidine-1-carbonyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)methylamino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)methylamino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide is CC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@@H](C)C(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1.CC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@H](C)C(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)N2CC(C)(O)C2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NCC2(C)CCC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CC(F)(F)C[C@@H]1C.Cc1cc(NCC2(C)CCC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.[2H]C([2H])(NC(=O)c1nc(C(=O)N2CCC[C@@H]2C)c(-c2cnc(N[C@H](C)CC)cc2C)s1)C(C)(C)O.
What is the InChIKey of 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(1,1-dideuterio-2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-(3-hydroxy-3-methylazetidine-1-carbonyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)methylamino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)methylamino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The InChIKey is BOYVCLMHHUHZKJ-DVRDKUMXSA-N. The full InChI is InChI=1S/C26H35F2N5O3S.C26H37N5O3S.2C25H37N5O3S.C24H33N5O3S.C24H35N5O3S/c1-15-9-18(30-13-25(5)7-6-8-25)29-11-17(15)20-19(23(35)33-14-26(27,28)10-16(33)2)32-22(37-20)21(34)31-12-24(3,4)36;1-16-12-19(28-15-26(5)9-7-10-26)27-13-18(16)21-20(24(33)31-11-6-8-17(31)2)30-23(35-21)22(32)29-14-25(3,4)34;2*1-8-15(3)27-19-12-14(2)18(13-26-19)21-20(24(32)30-11-9-10-16(30)4)29-23(34-21)22(31)28-17(5)25(6,7)33;1-14-10-17(27-23(3,4)5)25-11-16(14)19-18(21(30)29-9-7-8-15(29)2)26-20(33-19)22(31)28-12-24(6,32)13-28;1-7-15(3)27-18-11-14(2)17(12-25-18)20-19(23(31)29-10-8-9-16(29)4)28-22(33-20)21(30)26-13-24(5,6)32/h9,11,16,36H,6-8,10,12-14H2,1-5H3,(H,29,30)(H,31,34);12-13,17,34H,6-11,14-15H2,1-5H3,(H,27,28)(H,29,32);2*12-13,15-17,33H,8-11H2,1-7H3,(H,26,27)(H,28,31);10-11,15,32H,7-9,12-13H2,1-6H3,(H,25,27);11-12,15-16,32H,7-10,13H2,1-6H3,(H,25,27)(H,26,30)/t16-;17-;15-,16+,17+;15-,16+,17-;15-;15-,16+/m001101/s1/i;;;;;13D2.
What are the key properties of 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(1,1-dideuterio-2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-(3-hydroxy-3-methylazetidine-1-carbonyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)methylamino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)methylamino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(1,1-dideuterio-2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-(3-hydroxy-3-methylazetidine-1-carbonyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)methylamino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)methylamino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide has a molecular weight of 2957.96 g/mol, XLogP of 24.61, 44 rotatable bonds, 17 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(1,1-dideuterio-2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-(3-hydroxy-3-methylazetidine-1-carbonyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)methylamino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclobutyl)methylamino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 157417007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).