4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-1,3-thiazole-2-carboxamide;7-azabicyclo[2.2.1]heptan-7-yl-[2-(3-hydroxy-3-methylazetidine-1-carbonyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazol-4-yl]methanone;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(1,1-dideuterio-2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazole-2-carboxamide

C123H173F2N25O15S5 — CID 157470730

IUPAC4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-1,3-thiazole-2-carboxamide;7-azabicyclo[2.2.1]heptan-7-yl-[2-(3-hydroxy-3-methylazetidine-1-carbonyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazol-4-yl]methanone;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(1,1-dideuterio-2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazole-2-carboxamide
SMILESCC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)N(C)C(C)(C)CO)nc2C(=O)N2C3CCC2CC3)cn1.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)N2CC(C)(O)C2)nc1C(=O)N1C2CCC1CC2.Cc1cc(NCC(C)(C)C)ncc1-c1sc(C(=O)NC(C)(C)CO)nc1C(=O)N1CC(F)(F)C[C@@H]1C.[2H]C([2H])(NC(=O)c1nc(C(=O)N2CCC[C@@H]2C)c(-c2cnc(NC(C)(C)C)cc2C)s1)C(C)(C)O.[2H]C([2H])([2H])C(C)(O)CNC(=O)c1nc(C(=O)N2CCC[C@@H]2C)c(-c2cnc(N[C@H](C)CC)cc2C)s1
InChIInChI=1S/C26H37N5O3S.C25H35F2N5O3S.C24H31N5O3S.2C24H35N5O3S/c1-7-16(3)28-20-12-15(2)19(13-27-20)22-21(24(33)31-17-8-9-18(31)11-10-17)29-23(35-22)25(34)30(6)26(4,5)14-32;1-14-8-17(29-11-23(3,4)5)28-10-16(14)19-18(22(35)32-12-25(26,27)9-15(32)2)30-21(36-19)20(34)31-24(6,7)13-33;1-13(2)26-18-9-14(3)17(10-25-18)20-19(22(30)29-15-5-6-16(29)8-7-15)27-21(33-20)23(31)28-11-24(4,32)12-28;1-14-11-17(28-23(3,4)5)25-12-16(14)19-18(22(31)29-10-8-9-15(29)2)27-21(33-19)20(30)26-13-24(6,7)32;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/h12-13,16-18,32H,7-11,14H2,1-6H3,(H,27,28);8,10,15,33H,9,11-13H2,1-7H3,(H,28,29)(H,31,34);9-10,13,15-16,32H,5-8,11-12H2,1-4H3,(H,25,26);11-12,15,32H,8-10,13H2,1-7H3,(H,25,28)(H,26,30);11-12,15-16,32H,7-10,13H2,1-6H3,(H,25,27)(H,26,30)/t16-,17?,18?;15-;;15-;15-,16+/m10.01/s1/i;;;13D2;5D3/t;;;m;15-,16+,24?
InChIKeyBUZSBWUVMJRKGE-UIJBSBPWSA-N
MW2445.26 g/mol
LogP19.68
Rot. Bonds35

About 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-1,3-thiazole-2-carboxamide;7-azabicyclo[2.2.1]heptan-7-yl-[2-(3-hydroxy-3-methylazetidine-1-carbonyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazol-4-yl]methanone;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(1,1-dideuterio-2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazole-2-carboxamide

4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-1,3-thiazole-2-carboxamide;7-azabicyclo[2.2.1]heptan-7-yl-[2-(3-hydroxy-3-methylazetidine-1-carbonyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazol-4-yl]methanone;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(1,1-dideuterio-2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazole-2-carboxamide (PubChem CID 157470730) has the molecular formula C123H173F2N25O15S5 and a molecular weight of 2445.26 g/mol. Its IUPAC name is 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-1,3-thiazole-2-carboxamide;7-azabicyclo[2.2.1]heptan-7-yl-[2-(3-hydroxy-3-methylazetidine-1-carbonyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazol-4-yl]methanone;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(1,1-dideuterio-2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-1,3-thiazole-2-carboxamide;7-azabicyclo[2.2.1]heptan-7-yl-[2-(3-hydroxy-3-methylazetidine-1-carbonyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazol-4-yl]methanone;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(1,1-dideuterio-2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazole-2-carboxamide
PubChem CID157470730
Molecular FormulaC123H173F2N25O15S5
Molecular Weight2445.26 g/mol
Exact Mass2443.24
IUPAC Name4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-1,3-thiazole-2-carboxamide;7-azabicyclo[2.2.1]heptan-7-yl-[2-(3-hydroxy-3-methylazetidine-1-carbonyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazol-4-yl]methanone;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(1,1-dideuterio-2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazole-2-carboxamide
SMILESCC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)N(C)C(C)(C)CO)nc2C(=O)N2C3CCC2CC3)cn1.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)N2CC(C)(O)C2)nc1C(=O)N1C2CCC1CC2.Cc1cc(NCC(C)(C)C)ncc1-c1sc(C(=O)NC(C)(C)CO)nc1C(=O)N1CC(F)(F)C[C@@H]1C.[2H]C([2H])(NC(=O)c1nc(C(=O)N2CCC[C@@H]2C)c(-c2cnc(NC(C)(C)C)cc2C)s1)C(C)(C)O.[2H]C([2H])([2H])C(C)(O)CNC(=O)c1nc(C(=O)N2CCC[C@@H]2C)c(-c2cnc(N[C@H](C)CC)cc2C)s1
InChIInChI=1S/C26H37N5O3S.C25H35F2N5O3S.C24H31N5O3S.2C24H35N5O3S/c1-7-16(3)28-20-12-15(2)19(13-27-20)22-21(24(33)31-17-8-9-18(31)11-10-17)29-23(35-22)25(34)30(6)26(4,5)14-32;1-14-8-17(29-11-23(3,4)5)28-10-16(14)19-18(22(35)32-12-25(26,27)9-15(32)2)30-21(36-19)20(34)31-24(6,7)13-33;1-13(2)26-18-9-14(3)17(10-25-18)20-19(22(30)29-15-5-6-16(29)8-7-15)27-21(33-20)23(31)28-11-24(4,32)12-28;1-14-11-17(28-23(3,4)5)25-12-16(14)19-18(22(31)29-10-8-9-15(29)2)27-21(33-19)20(30)26-13-24(6,7)32;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/h12-13,16-18,32H,7-11,14H2,1-6H3,(H,27,28);8,10,15,33H,9,11-13H2,1-7H3,(H,28,29)(H,31,34);9-10,13,15-16,32H,5-8,11-12H2,1-4H3,(H,25,26);11-12,15,32H,8-10,13H2,1-7H3,(H,25,28)(H,26,30);11-12,15-16,32H,7-10,13H2,1-6H3,(H,25,27)(H,26,30)/t16-,17?,18?;15-;;15-;15-,16+/m10.01/s1/i;;;13D2;5D3/t;;;m;15-,16+,24?
InChIKeyBUZSBWUVMJRKGE-UIJBSBPWSA-N
XLogP19.68
TPSA519.67 Ų
H-Bond Donors13
H-Bond Acceptors35
Rotatable Bonds35
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002445.26
LogP ≤ 519.68
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1035

Analyze 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-1,3-thiazole-2-carboxamide;7-azabicyclo[2.2.1]heptan-7-yl-[2-(3-hydroxy-3-methylazetidine-1-carbonyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazol-4-yl]methanone;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(1,1-dideuterio-2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazole-2-carboxamide with MolForge

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Related Compounds

US10975068, Example 427
CID 132057173
US10975068, Example 329
CID 132057797
US10975068, Example 189
CID 132071850
4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[4-(difluoromethyl)-6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-1,3-thiazole-2-carboxamide
CID 132057724
4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[4-(difluoromethyl)-6-(1,1,1-trifluorobutan-2-ylamino)-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-1,3-thiazole-2-carboxamide
CID 132057727
4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[4-(difluoromethyl)-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-N-(3-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-2-carboxamide
CID 132057798
7-azabicyclo[2.2.1]heptan-7-yl-[2-(3-hydroxy-3-methylazetidine-1-carbonyl)-5-[4-methyl-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazol-4-yl]methanone
CID 132068675
4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-5-[4-methyl-6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]pyridin-3-yl]-1,3-thiazole-2-carboxamide
CID 132068676
4-[(2S)-3-[2-[[5-[6-(tert-butylamino)-4-(trifluoromethyl)pyridin-3-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carbonyl]amino]-3-hydroxy-2-methylpropyl]-2-methylpyrrolidine-1-carbonyl]-5-[6-(2,2-dimethylpropylamino)-4-(trifluoromethyl)pyridin-3-yl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide
CID 132071867
5-[6-(tert-butylamino)-4-(trifluoromethyl)pyridin-3-yl]-N-[1-[(2S)-1-[5-[6-(tert-butylamino)-4-(trifluoromethyl)pyridin-3-yl]-2-[[(2R)-3-hydroxy-3-methylbutan-2-yl]carbamoyl]-1,3-thiazole-4-carbonyl]-2-methylpyrrolidin-3-yl]-3-hydroxy-2-methylpropan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
CID 132072068
4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-1,3-thiazole-2-carboxamide;ethane
CID 145391590
CID 157050633
CID 157050633

Frequently Asked Questions

What is the IUPAC name of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-1,3-thiazole-2-carboxamide;7-azabicyclo[2.2.1]heptan-7-yl-[2-(3-hydroxy-3-methylazetidine-1-carbonyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazol-4-yl]methanone;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(1,1-dideuterio-2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-1,3-thiazole-2-carboxamide;7-azabicyclo[2.2.1]heptan-7-yl-[2-(3-hydroxy-3-methylazetidine-1-carbonyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazol-4-yl]methanone;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(1,1-dideuterio-2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazole-2-carboxamide (CID 157470730) is 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-1,3-thiazole-2-carboxamide;7-azabicyclo[2.2.1]heptan-7-yl-[2-(3-hydroxy-3-methylazetidine-1-carbonyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazol-4-yl]methanone;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(1,1-dideuterio-2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-1,3-thiazole-2-carboxamide;7-azabicyclo[2.2.1]heptan-7-yl-[2-(3-hydroxy-3-methylazetidine-1-carbonyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazol-4-yl]methanone;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(1,1-dideuterio-2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-1,3-thiazole-2-carboxamide;7-azabicyclo[2.2.1]heptan-7-yl-[2-(3-hydroxy-3-methylazetidine-1-carbonyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazol-4-yl]methanone;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(1,1-dideuterio-2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazole-2-carboxamide is CC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)N(C)C(C)(C)CO)nc2C(=O)N2C3CCC2CC3)cn1.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)N2CC(C)(O)C2)nc1C(=O)N1C2CCC1CC2.Cc1cc(NCC(C)(C)C)ncc1-c1sc(C(=O)NC(C)(C)CO)nc1C(=O)N1CC(F)(F)C[C@@H]1C.[2H]C([2H])(NC(=O)c1nc(C(=O)N2CCC[C@@H]2C)c(-c2cnc(NC(C)(C)C)cc2C)s1)C(C)(C)O.[2H]C([2H])([2H])C(C)(O)CNC(=O)c1nc(C(=O)N2CCC[C@@H]2C)c(-c2cnc(N[C@H](C)CC)cc2C)s1.
What is the InChIKey of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-1,3-thiazole-2-carboxamide;7-azabicyclo[2.2.1]heptan-7-yl-[2-(3-hydroxy-3-methylazetidine-1-carbonyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazol-4-yl]methanone;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(1,1-dideuterio-2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is BUZSBWUVMJRKGE-UIJBSBPWSA-N. The full InChI is InChI=1S/C26H37N5O3S.C25H35F2N5O3S.C24H31N5O3S.2C24H35N5O3S/c1-7-16(3)28-20-12-15(2)19(13-27-20)22-21(24(33)31-17-8-9-18(31)11-10-17)29-23(35-22)25(34)30(6)26(4,5)14-32;1-14-8-17(29-11-23(3,4)5)28-10-16(14)19-18(22(35)32-12-25(26,27)9-15(32)2)30-21(36-19)20(34)31-24(6,7)13-33;1-13(2)26-18-9-14(3)17(10-25-18)20-19(22(30)29-15-5-6-16(29)8-7-15)27-21(33-20)23(31)28-11-24(4,32)12-28;1-14-11-17(28-23(3,4)5)25-12-16(14)19-18(22(31)29-10-8-9-15(29)2)27-21(33-19)20(30)26-13-24(6,7)32;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/h12-13,16-18,32H,7-11,14H2,1-6H3,(H,27,28);8,10,15,33H,9,11-13H2,1-7H3,(H,28,29)(H,31,34);9-10,13,15-16,32H,5-8,11-12H2,1-4H3,(H,25,26);11-12,15,32H,8-10,13H2,1-7H3,(H,25,28)(H,26,30);11-12,15-16,32H,7-10,13H2,1-6H3,(H,25,27)(H,26,30)/t16-,17?,18?;15-;;15-;15-,16+/m10.01/s1/i;;;13D2;5D3/t;;;m;15-,16+,24?.
What are the key properties of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-1,3-thiazole-2-carboxamide;7-azabicyclo[2.2.1]heptan-7-yl-[2-(3-hydroxy-3-methylazetidine-1-carbonyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazol-4-yl]methanone;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(1,1-dideuterio-2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazole-2-carboxamide?
4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-1,3-thiazole-2-carboxamide;7-azabicyclo[2.2.1]heptan-7-yl-[2-(3-hydroxy-3-methylazetidine-1-carbonyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazol-4-yl]methanone;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(1,1-dideuterio-2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 2445.26 g/mol, XLogP of 19.68, 35 rotatable bonds, 13 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-1,3-thiazole-2-carboxamide;7-azabicyclo[2.2.1]heptan-7-yl-[2-(3-hydroxy-3-methylazetidine-1-carbonyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazol-4-yl]methanone;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(1,1-dideuterio-2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(2,2-dimethylpropylamino)-4-methyl-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 157470730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).