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]-N-(3-hydroxy-3-methylbutan-2-yl)-N-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-N-(oxetan-3-yl)-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

C128H179F2N25O15S5 — CID 157304354

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]-N-(3-hydroxy-3-methylbutan-2-yl)-N-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-N-(oxetan-3-yl)-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.CC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)N(C)C(C)C(C)(C)O)nc2C(=O)N2CCCC[C@@H]2C)cn1.CC[C@H](Nc1cc(C)c(-c2sc(C(=O)NC3COC3)nc2C(=O)N2CCCC[C@@H]2C)cn1)C1CC1.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
InChIInChI=1S/C27H41N5O3S.C26H35N5O3S.C26H37N5O3S.C25H35F2N5O3S.C24H31N5O3S/c1-9-17(3)29-21-14-16(2)20(15-28-21)23-22(25(33)32-13-11-10-12-18(32)4)30-24(36-23)26(34)31(8)19(5)27(6,7)35;1-4-20(17-8-9-17)29-21-11-15(2)19(12-27-21)23-22(26(33)31-10-6-5-7-16(31)3)30-25(35-23)24(32)28-18-13-34-14-18;1-7-16(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/h14-15,17-19,35H,9-13H2,1-8H3,(H,28,29);11-12,16-18,20H,4-10,13-14H2,1-3H3,(H,27,29)(H,28,32);12-13,16-18,32H,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)/t17-,18+,19?;16-,20-;16-,17?,18?;15-;/m1010./s1
InChIKeyBCGUYHNKQJSWLL-VMVKVXRWSA-N
MW2506.33 g/mol
LogP21.21
Rot. Bonds36

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]-N-(3-hydroxy-3-methylbutan-2-yl)-N-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-N-(oxetan-3-yl)-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]-N-(3-hydroxy-3-methylbutan-2-yl)-N-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-N-(oxetan-3-yl)-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 157304354) has the molecular formula C128H179F2N25O15S5 and a molecular weight of 2506.33 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]-N-(3-hydroxy-3-methylbutan-2-yl)-N-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-N-(oxetan-3-yl)-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]-N-(3-hydroxy-3-methylbutan-2-yl)-N-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-N-(oxetan-3-yl)-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 CID157304354
Molecular FormulaC128H179F2N25O15S5
Molecular Weight2506.33 g/mol
Exact Mass2504.26
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]-N-(3-hydroxy-3-methylbutan-2-yl)-N-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-N-(oxetan-3-yl)-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.CC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)N(C)C(C)C(C)(C)O)nc2C(=O)N2CCCC[C@@H]2C)cn1.CC[C@H](Nc1cc(C)c(-c2sc(C(=O)NC3COC3)nc2C(=O)N2CCCC[C@@H]2C)cn1)C1CC1.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
InChIInChI=1S/C27H41N5O3S.C26H35N5O3S.C26H37N5O3S.C25H35F2N5O3S.C24H31N5O3S/c1-9-17(3)29-21-14-16(2)20(15-28-21)23-22(25(33)32-13-11-10-12-18(32)4)30-24(36-23)26(34)31(8)19(5)27(6,7)35;1-4-20(17-8-9-17)29-21-11-15(2)19(12-27-21)23-22(26(33)31-10-6-5-7-16(31)3)30-25(35-23)24(32)28-18-13-34-14-18;1-7-16(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/h14-15,17-19,35H,9-13H2,1-8H3,(H,28,29);11-12,16-18,20H,4-10,13-14H2,1-3H3,(H,27,29)(H,28,32);12-13,16-18,32H,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)/t17-,18+,19?;16-,20-;16-,17?,18?;15-;/m1010./s1
InChIKeyBCGUYHNKQJSWLL-VMVKVXRWSA-N
XLogP21.21
TPSA499.88 Ų
H-Bond Donors11
H-Bond Acceptors35
Rotatable Bonds36
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002506.33
LogP ≤ 521.21
H-Bond Donors ≤ 511
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]-N-(3-hydroxy-3-methylbutan-2-yl)-N-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-N-(oxetan-3-yl)-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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Launch Full Analysis

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;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]-N-(3-hydroxy-3-methylbutan-2-yl)-N-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-N-(oxetan-3-yl)-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]-N-(3-hydroxy-3-methylbutan-2-yl)-N-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-N-(oxetan-3-yl)-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 157304354) 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]-N-(3-hydroxy-3-methylbutan-2-yl)-N-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-N-(oxetan-3-yl)-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]-N-(3-hydroxy-3-methylbutan-2-yl)-N-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-N-(oxetan-3-yl)-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]-N-(3-hydroxy-3-methylbutan-2-yl)-N-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-N-(oxetan-3-yl)-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.CC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)N(C)C(C)C(C)(C)O)nc2C(=O)N2CCCC[C@@H]2C)cn1.CC[C@H](Nc1cc(C)c(-c2sc(C(=O)NC3COC3)nc2C(=O)N2CCCC[C@@H]2C)cn1)C1CC1.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.
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]-N-(3-hydroxy-3-methylbutan-2-yl)-N-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-N-(oxetan-3-yl)-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 BCGUYHNKQJSWLL-VMVKVXRWSA-N. The full InChI is InChI=1S/C27H41N5O3S.C26H35N5O3S.C26H37N5O3S.C25H35F2N5O3S.C24H31N5O3S/c1-9-17(3)29-21-14-16(2)20(15-28-21)23-22(25(33)32-13-11-10-12-18(32)4)30-24(36-23)26(34)31(8)19(5)27(6,7)35;1-4-20(17-8-9-17)29-21-11-15(2)19(12-27-21)23-22(26(33)31-10-6-5-7-16(31)3)30-25(35-23)24(32)28-18-13-34-14-18;1-7-16(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/h14-15,17-19,35H,9-13H2,1-8H3,(H,28,29);11-12,16-18,20H,4-10,13-14H2,1-3H3,(H,27,29)(H,28,32);12-13,16-18,32H,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)/t17-,18+,19?;16-,20-;16-,17?,18?;15-;/m1010./s1.
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]-N-(3-hydroxy-3-methylbutan-2-yl)-N-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-N-(oxetan-3-yl)-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]-N-(3-hydroxy-3-methylbutan-2-yl)-N-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-N-(oxetan-3-yl)-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 2506.33 g/mol, XLogP of 21.21, 36 rotatable bonds, 11 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]-N-(3-hydroxy-3-methylbutan-2-yl)-N-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1S)-1-cyclopropylpropyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-N-(oxetan-3-yl)-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 157304354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).