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;[4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazol-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;5-[6-[[(2R)-butan-2-yl]amino]-4-(trifluoromethyl)-3-pyridinyl]-N-[(1-hydroxycyclopropyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-(trifluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(3-hydroxy-3-methylcyclobutyl)-5-[6-(propan-2-ylamino)-4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide

C123H159F11N24O15S5 — CID 158865210

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;[4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazol-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;5-[6-[[(2R)-butan-2-yl]amino]-4-(trifluoromethyl)-3-pyridinyl]-N-[(1-hydroxycyclopropyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-(trifluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(3-hydroxy-3-methylcyclobutyl)-5-[6-(propan-2-ylamino)-4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide
SMILESCC(C)Nc1cc(C(F)(F)F)c(-c2sc(C(=O)NC3CC(C)(O)C3)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1.CC[C@@H](C)Nc1cc(C(F)(F)F)c(-c2sc(C(=O)NCC3(O)CC3)nc2C(=O)N2CCC[C@@H]2C)cn1.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)C2CC(C)(O)C2)nc1C(=O)N1C2CCC1CC2.[2H]C([2H])([2H])C(C)(O)CNC(=O)c1nc(C(=O)N2CCC[C@@H]2C)c(-c2cnc(N[C@H](C)CC)cc2C(F)(F)F)s1
InChIInChI=1S/C26H37N5O3S.C25H32N4O3S.C24H28F5N5O3S.C24H30F3N5O3S.C24H32F3N5O3S/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;1-13(2)27-19-9-14(3)18(12-26-19)22-20(24(31)29-16-5-6-17(29)8-7-16)28-23(33-22)21(30)15-10-25(4,32)11-15;1-11(2)31-16-5-15(24(27,28)29)14(9-30-16)18-17(21(36)34-10-23(25,26)6-12(34)3)33-20(38-18)19(35)32-13-7-22(4,37)8-13;1-4-13(2)30-17-10-16(24(25,26)27)15(11-28-17)19-18(22(34)32-9-5-6-14(32)3)31-21(36-19)20(33)29-12-23(35)7-8-23;1-6-13(2)30-17-10-16(24(25,26)27)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/h12-13,16-18,32H,7-11,14H2,1-6H3,(H,27,28);9,12-13,15-17,32H,5-8,10-11H2,1-4H3,(H,26,27);5,9,11-13,37H,6-8,10H2,1-4H3,(H,30,31)(H,32,35);10-11,13-14,35H,4-9,12H2,1-3H3,(H,28,30)(H,29,33);10-11,13-14,35H,6-9,12H2,1-5H3,(H,28,30)(H,29,33)/t16-,17?,18?;;12-,13?,22?;2*13-,14+/m1.011/s1/i;;;;4D3/t;;;;13-,14+,23?
InChIKeyJBDJWMPHAOGOMU-FRJGWHFFSA-N
MW2586.11 g/mol
LogP22.21
Rot. Bonds37

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;[4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazol-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;5-[6-[[(2R)-butan-2-yl]amino]-4-(trifluoromethyl)-3-pyridinyl]-N-[(1-hydroxycyclopropyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-(trifluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(3-hydroxy-3-methylcyclobutyl)-5-[6-(propan-2-ylamino)-4-(trifluoromethyl)-3-pyridinyl]-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;[4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazol-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;5-[6-[[(2R)-butan-2-yl]amino]-4-(trifluoromethyl)-3-pyridinyl]-N-[(1-hydroxycyclopropyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-(trifluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(3-hydroxy-3-methylcyclobutyl)-5-[6-(propan-2-ylamino)-4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide (PubChem CID 158865210) has the molecular formula C123H159F11N24O15S5 and a molecular weight of 2586.11 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;[4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazol-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;5-[6-[[(2R)-butan-2-yl]amino]-4-(trifluoromethyl)-3-pyridinyl]-N-[(1-hydroxycyclopropyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-(trifluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(3-hydroxy-3-methylcyclobutyl)-5-[6-(propan-2-ylamino)-4-(trifluoromethyl)-3-pyridinyl]-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;[4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazol-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;5-[6-[[(2R)-butan-2-yl]amino]-4-(trifluoromethyl)-3-pyridinyl]-N-[(1-hydroxycyclopropyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-(trifluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(3-hydroxy-3-methylcyclobutyl)-5-[6-(propan-2-ylamino)-4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide
PubChem CID158865210
Molecular FormulaC123H159F11N24O15S5
Molecular Weight2586.11 g/mol
Exact Mass2584.10
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;[4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazol-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;5-[6-[[(2R)-butan-2-yl]amino]-4-(trifluoromethyl)-3-pyridinyl]-N-[(1-hydroxycyclopropyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-(trifluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(3-hydroxy-3-methylcyclobutyl)-5-[6-(propan-2-ylamino)-4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide
SMILESCC(C)Nc1cc(C(F)(F)F)c(-c2sc(C(=O)NC3CC(C)(O)C3)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1.CC[C@@H](C)Nc1cc(C(F)(F)F)c(-c2sc(C(=O)NCC3(O)CC3)nc2C(=O)N2CCC[C@@H]2C)cn1.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)C2CC(C)(O)C2)nc1C(=O)N1C2CCC1CC2.[2H]C([2H])([2H])C(C)(O)CNC(=O)c1nc(C(=O)N2CCC[C@@H]2C)c(-c2cnc(N[C@H](C)CC)cc2C(F)(F)F)s1
InChIInChI=1S/C26H37N5O3S.C25H32N4O3S.C24H28F5N5O3S.C24H30F3N5O3S.C24H32F3N5O3S/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;1-13(2)27-19-9-14(3)18(12-26-19)22-20(24(31)29-16-5-6-17(29)8-7-16)28-23(33-22)21(30)15-10-25(4,32)11-15;1-11(2)31-16-5-15(24(27,28)29)14(9-30-16)18-17(21(36)34-10-23(25,26)6-12(34)3)33-20(38-18)19(35)32-13-7-22(4,37)8-13;1-4-13(2)30-17-10-16(24(25,26)27)15(11-28-17)19-18(22(34)32-9-5-6-14(32)3)31-21(36-19)20(33)29-12-23(35)7-8-23;1-6-13(2)30-17-10-16(24(25,26)27)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/h12-13,16-18,32H,7-11,14H2,1-6H3,(H,27,28);9,12-13,15-17,32H,5-8,10-11H2,1-4H3,(H,26,27);5,9,11-13,37H,6-8,10H2,1-4H3,(H,30,31)(H,32,35);10-11,13-14,35H,4-9,12H2,1-3H3,(H,28,30)(H,29,33);10-11,13-14,35H,6-9,12H2,1-5H3,(H,28,30)(H,29,33)/t16-,17?,18?;;12-,13?,22?;2*13-,14+/m1.011/s1/i;;;;4D3/t;;;;13-,14+,23?
InChIKeyJBDJWMPHAOGOMU-FRJGWHFFSA-N
XLogP22.21
TPSA516.43 Ų
H-Bond Donors13
H-Bond Acceptors35
Rotatable Bonds37
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002586.11
LogP ≤ 522.21
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;[4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazol-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;5-[6-[[(2R)-butan-2-yl]amino]-4-(trifluoromethyl)-3-pyridinyl]-N-[(1-hydroxycyclopropyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-(trifluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(3-hydroxy-3-methylcyclobutyl)-5-[6-(propan-2-ylamino)-4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide with MolForge

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Related Compounds

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
CID 157050633
CID 157050633
5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-(4,4-difluoropiperidine-1-carbonyl)-N-(3-hydroxy-3-methylbutyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-2-fluoro-2-methylcyclohexyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-2-fluoro-2-methylcyclohexyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide
CID 157051928
CID 157058098
CID 157058098
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-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3,3,3-trifluoro-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-[(1-methylcyclopropyl)methylamino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[(1-methylcyclopropyl)methylamino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
CID 157059046
4-(7-azabicyclo[2.2.1]heptane-7-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]-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-[(1-methylcyclopropyl)methylamino]-3-pyridinyl]-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-[(1-methylcyclopropyl)methylamino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
CID 157062011
CID 157075949
CID 157075949
CID 157080629
CID 157080629
4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(3-hydroxycyclobutyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(1,1-dioxothian-4-yl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-(1,1-dioxothian-4-yl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(3-hydroxycyclobutyl)-5-[4-methyl-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
CID 157100536
4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclobutylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(dicyclopropylmethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclobutylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(dicyclopropylmethylamino)-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[6-(ethylamino)-4-methyl-3-pyridinyl]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide
CID 157120475
4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1R,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide
CID 157125696

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;[4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazol-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;5-[6-[[(2R)-butan-2-yl]amino]-4-(trifluoromethyl)-3-pyridinyl]-N-[(1-hydroxycyclopropyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-(trifluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(3-hydroxy-3-methylcyclobutyl)-5-[6-(propan-2-ylamino)-4-(trifluoromethyl)-3-pyridinyl]-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;[4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazol-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;5-[6-[[(2R)-butan-2-yl]amino]-4-(trifluoromethyl)-3-pyridinyl]-N-[(1-hydroxycyclopropyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-(trifluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(3-hydroxy-3-methylcyclobutyl)-5-[6-(propan-2-ylamino)-4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide (CID 158865210) 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;[4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazol-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;5-[6-[[(2R)-butan-2-yl]amino]-4-(trifluoromethyl)-3-pyridinyl]-N-[(1-hydroxycyclopropyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-(trifluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(3-hydroxy-3-methylcyclobutyl)-5-[6-(propan-2-ylamino)-4-(trifluoromethyl)-3-pyridinyl]-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;[4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazol-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;5-[6-[[(2R)-butan-2-yl]amino]-4-(trifluoromethyl)-3-pyridinyl]-N-[(1-hydroxycyclopropyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-(trifluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(3-hydroxy-3-methylcyclobutyl)-5-[6-(propan-2-ylamino)-4-(trifluoromethyl)-3-pyridinyl]-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;[4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazol-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;5-[6-[[(2R)-butan-2-yl]amino]-4-(trifluoromethyl)-3-pyridinyl]-N-[(1-hydroxycyclopropyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-(trifluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(3-hydroxy-3-methylcyclobutyl)-5-[6-(propan-2-ylamino)-4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide is CC(C)Nc1cc(C(F)(F)F)c(-c2sc(C(=O)NC3CC(C)(O)C3)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1.CC[C@@H](C)Nc1cc(C(F)(F)F)c(-c2sc(C(=O)NCC3(O)CC3)nc2C(=O)N2CCC[C@@H]2C)cn1.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)C2CC(C)(O)C2)nc1C(=O)N1C2CCC1CC2.[2H]C([2H])([2H])C(C)(O)CNC(=O)c1nc(C(=O)N2CCC[C@@H]2C)c(-c2cnc(N[C@H](C)CC)cc2C(F)(F)F)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;[4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazol-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;5-[6-[[(2R)-butan-2-yl]amino]-4-(trifluoromethyl)-3-pyridinyl]-N-[(1-hydroxycyclopropyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-(trifluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(3-hydroxy-3-methylcyclobutyl)-5-[6-(propan-2-ylamino)-4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide?
The InChIKey is JBDJWMPHAOGOMU-FRJGWHFFSA-N. The full InChI is InChI=1S/C26H37N5O3S.C25H32N4O3S.C24H28F5N5O3S.C24H30F3N5O3S.C24H32F3N5O3S/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;1-13(2)27-19-9-14(3)18(12-26-19)22-20(24(31)29-16-5-6-17(29)8-7-16)28-23(33-22)21(30)15-10-25(4,32)11-15;1-11(2)31-16-5-15(24(27,28)29)14(9-30-16)18-17(21(36)34-10-23(25,26)6-12(34)3)33-20(38-18)19(35)32-13-7-22(4,37)8-13;1-4-13(2)30-17-10-16(24(25,26)27)15(11-28-17)19-18(22(34)32-9-5-6-14(32)3)31-21(36-19)20(33)29-12-23(35)7-8-23;1-6-13(2)30-17-10-16(24(25,26)27)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/h12-13,16-18,32H,7-11,14H2,1-6H3,(H,27,28);9,12-13,15-17,32H,5-8,10-11H2,1-4H3,(H,26,27);5,9,11-13,37H,6-8,10H2,1-4H3,(H,30,31)(H,32,35);10-11,13-14,35H,4-9,12H2,1-3H3,(H,28,30)(H,29,33);10-11,13-14,35H,6-9,12H2,1-5H3,(H,28,30)(H,29,33)/t16-,17?,18?;;12-,13?,22?;2*13-,14+/m1.011/s1/i;;;;4D3/t;;;;13-,14+,23?.
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;[4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazol-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;5-[6-[[(2R)-butan-2-yl]amino]-4-(trifluoromethyl)-3-pyridinyl]-N-[(1-hydroxycyclopropyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-(trifluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(3-hydroxy-3-methylcyclobutyl)-5-[6-(propan-2-ylamino)-4-(trifluoromethyl)-3-pyridinyl]-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;[4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazol-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;5-[6-[[(2R)-butan-2-yl]amino]-4-(trifluoromethyl)-3-pyridinyl]-N-[(1-hydroxycyclopropyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-(trifluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(3-hydroxy-3-methylcyclobutyl)-5-[6-(propan-2-ylamino)-4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide has a molecular weight of 2586.11 g/mol, XLogP of 22.21, 37 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;[4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazol-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;5-[6-[[(2R)-butan-2-yl]amino]-4-(trifluoromethyl)-3-pyridinyl]-N-[(1-hydroxycyclopropyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-(trifluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(3-hydroxy-3-methylcyclobutyl)-5-[6-(propan-2-ylamino)-4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 158865210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).