4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide

C148H208F10N30O18S6 — CID 158240827

IUPAC4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide
SMILESCCC(C)(C)Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1.CC[C@H](Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F.Cc1cc(NCC(C)(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CC(F)(F)C[C@@H]1C.Cc1cc(NCC(C)(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCCC[C@@H]1C.Cc1cc(NCC(C)(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(N[C@@H](C)C(F)(F)F)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CC(F)(F)C[C@@H]1C
InChIInChI=1S/C26H39N5O3S.C25H35F2N5O3S.2C25H37N5O3S.C24H32F3N5O3S.C23H28F5N5O3S/c1-16-12-19(28-14-25(3,4)5)27-13-18(16)21-20(24(33)31-11-9-8-10-17(31)2)30-23(35-21)22(32)29-15-26(6,7)34;1-14-8-17(29-11-23(3,4)5)28-10-16(14)19-18(22(34)32-13-25(26,27)9-15(32)2)31-21(36-19)20(33)30-12-24(6,7)35;1-15-11-18(27-13-24(3,4)5)26-12-17(15)20-19(23(32)30-10-8-9-16(30)2)29-22(34-20)21(31)28-14-25(6,7)33;1-8-24(4,5)29-18-12-15(2)17(13-26-18)20-19(23(32)30-11-9-10-16(30)3)28-22(34-20)21(31)27-14-25(6,7)33;1-6-16(24(25,26)27)30-17-10-13(2)15(11-28-17)19-18(22(34)32-9-7-8-14(32)3)31-21(36-19)20(33)29-12-23(4,5)35;1-11-6-15(31-13(3)23(26,27)28)29-8-14(11)17-16(20(35)33-10-22(24,25)7-12(33)2)32-19(37-17)18(34)30-9-21(4,5)36/h12-13,17,34H,8-11,14-15H2,1-7H3,(H,27,28)(H,29,32);8,10,15,35H,9,11-13H2,1-7H3,(H,28,29)(H,30,33);11-12,16,33H,8-10,13-14H2,1-7H3,(H,26,27)(H,28,31);12-13,16,33H,8-11,14H2,1-7H3,(H,26,29)(H,27,31);10-11,14,16,35H,6-9,12H2,1-5H3,(H,28,30)(H,29,33);6,8,12-13,36H,7,9-10H2,1-5H3,(H,29,31)(H,30,34)/t17-;15-;2*16-;14-,16-;12-,13-/m000000/s1
InChIKeyGFNBFBCKPGBWSV-GEEKWHKSSA-N
MW3077.87 g/mol
LogP25.80
Rot. Bonds44

About 4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide

4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide (PubChem CID 158240827) has the molecular formula C148H208F10N30O18S6 and a molecular weight of 3077.87 g/mol. Its IUPAC name is 4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide
PubChem CID158240827
Molecular FormulaC148H208F10N30O18S6
Molecular Weight3077.87 g/mol
Exact Mass3075.44
IUPAC Name4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide
SMILESCCC(C)(C)Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1.CC[C@H](Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F.Cc1cc(NCC(C)(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CC(F)(F)C[C@@H]1C.Cc1cc(NCC(C)(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCCC[C@@H]1C.Cc1cc(NCC(C)(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(N[C@@H](C)C(F)(F)F)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CC(F)(F)C[C@@H]1C
InChIInChI=1S/C26H39N5O3S.C25H35F2N5O3S.2C25H37N5O3S.C24H32F3N5O3S.C23H28F5N5O3S/c1-16-12-19(28-14-25(3,4)5)27-13-18(16)21-20(24(33)31-11-9-8-10-17(31)2)30-23(35-21)22(32)29-15-26(6,7)34;1-14-8-17(29-11-23(3,4)5)28-10-16(14)19-18(22(34)32-13-25(26,27)9-15(32)2)31-21(36-19)20(33)30-12-24(6,7)35;1-15-11-18(27-13-24(3,4)5)26-12-17(15)20-19(23(32)30-10-8-9-16(30)2)29-22(34-20)21(31)28-14-25(6,7)33;1-8-24(4,5)29-18-12-15(2)17(13-26-18)20-19(23(32)30-11-9-10-16(30)3)28-22(34-20)21(31)27-14-25(6,7)33;1-6-16(24(25,26)27)30-17-10-13(2)15(11-28-17)19-18(22(34)32-9-7-8-14(32)3)31-21(36-19)20(33)29-12-23(4,5)35;1-11-6-15(31-13(3)23(26,27)28)29-8-14(11)17-16(20(35)33-10-22(24,25)7-12(33)2)32-19(37-17)18(34)30-9-21(4,5)36/h12-13,17,34H,8-11,14-15H2,1-7H3,(H,27,28)(H,29,32);8,10,15,35H,9,11-13H2,1-7H3,(H,28,29)(H,30,33);11-12,16,33H,8-10,13-14H2,1-7H3,(H,26,27)(H,28,31);12-13,16,33H,8-11,14H2,1-7H3,(H,26,29)(H,27,31);10-11,14,16,35H,6-9,12H2,1-5H3,(H,28,30)(H,29,33);6,8,12-13,36H,7,9-10H2,1-5H3,(H,29,31)(H,30,34)/t17-;15-;2*16-;14-,16-;12-,13-/m000000/s1
InChIKeyGFNBFBCKPGBWSV-GEEKWHKSSA-N
XLogP25.80
TPSA644.70 Ų
H-Bond Donors18
H-Bond Acceptors42
Rotatable Bonds44
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003077.87
LogP ≤ 525.80
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1042

Analyze 4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide (CID 158240827) is 4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide is CCC(C)(C)Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1.CC[C@H](Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1)C(F)(F)F.Cc1cc(NCC(C)(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CC(F)(F)C[C@@H]1C.Cc1cc(NCC(C)(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCCC[C@@H]1C.Cc1cc(NCC(C)(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(N[C@@H](C)C(F)(F)F)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CC(F)(F)C[C@@H]1C.
What is the InChIKey of 4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide?
The InChIKey is GFNBFBCKPGBWSV-GEEKWHKSSA-N. The full InChI is InChI=1S/C26H39N5O3S.C25H35F2N5O3S.2C25H37N5O3S.C24H32F3N5O3S.C23H28F5N5O3S/c1-16-12-19(28-14-25(3,4)5)27-13-18(16)21-20(24(33)31-11-9-8-10-17(31)2)30-23(35-21)22(32)29-15-26(6,7)34;1-14-8-17(29-11-23(3,4)5)28-10-16(14)19-18(22(34)32-13-25(26,27)9-15(32)2)31-21(36-19)20(33)30-12-24(6,7)35;1-15-11-18(27-13-24(3,4)5)26-12-17(15)20-19(23(32)30-10-8-9-16(30)2)29-22(34-20)21(31)28-14-25(6,7)33;1-8-24(4,5)29-18-12-15(2)17(13-26-18)20-19(23(32)30-11-9-10-16(30)3)28-22(34-20)21(31)27-14-25(6,7)33;1-6-16(24(25,26)27)30-17-10-13(2)15(11-28-17)19-18(22(34)32-9-7-8-14(32)3)31-21(36-19)20(33)29-12-23(4,5)35;1-11-6-15(31-13(3)23(26,27)28)29-8-14(11)17-16(20(35)33-10-22(24,25)7-12(33)2)32-19(37-17)18(34)30-9-21(4,5)36/h12-13,17,34H,8-11,14-15H2,1-7H3,(H,27,28)(H,29,32);8,10,15,35H,9,11-13H2,1-7H3,(H,28,29)(H,30,33);11-12,16,33H,8-10,13-14H2,1-7H3,(H,26,27)(H,28,31);12-13,16,33H,8-11,14H2,1-7H3,(H,26,29)(H,27,31);10-11,14,16,35H,6-9,12H2,1-5H3,(H,28,30)(H,29,33);6,8,12-13,36H,7,9-10H2,1-5H3,(H,29,31)(H,30,34)/t17-;15-;2*16-;14-,16-;12-,13-/m000000/s1.
What are the key properties of 4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide?
4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide has a molecular weight of 3077.87 g/mol, XLogP of 25.80, 44 rotatable bonds, 18 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-5-[4-methyl-6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 158240827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).