5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-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

C123H167F4N25O16S5 — CID 161191186

IUPAC5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-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
SMILESCC[C@H](C)Nc1cc(C)c(-c2sc(C(=O)NC3CC(O)C3)nc2C(=O)N2CCC[C@@H]2C)cn1.CC[C@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@H](C)CO)nc2C(=O)N2CCC[C@@H]2C)cn1.CC[C@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@H]3COC[C@@H]3O)nc2C(=O)N2CCC[C@@H]2C)cn1.Cc1cc(N[C@@H](C)C2CC2)ncc1-c1sc(C(=O)N[C@@H](C)C(C)(C)O)nc1C(=O)N1CC(F)(F)C[C@@H]1C.Cc1cc(N[C@@H](C)C2CC2)ncc1-c1sc(C(=O)N[C@@H]2CCC[C@@H]2O)nc1C(=O)N1CC(F)(F)C[C@@H]1C
InChIInChI=1S/C26H33F2N5O3S.C26H35F2N5O3S.C24H33N5O4S.C24H33N5O3S.C23H33N5O3S/c1-13-9-20(30-15(3)16-7-8-16)29-11-17(13)22-21(25(36)33-12-26(27,28)10-14(33)2)32-24(37-22)23(35)31-18-5-4-6-19(18)34;1-13-9-19(30-15(3)17-7-8-17)29-11-18(13)21-20(24(35)33-12-26(27,28)10-14(33)2)32-23(37-21)22(34)31-16(4)25(5,6)36;1-5-14(3)26-19-9-13(2)16(10-25-19)21-20(24(32)29-8-6-7-15(29)4)28-23(34-21)22(31)27-17-11-33-12-18(17)30;1-5-14(3)26-19-9-13(2)18(12-25-19)21-20(24(32)29-8-6-7-15(29)4)28-23(33-21)22(31)27-16-10-17(30)11-16;1-6-14(3)25-18-10-13(2)17(11-24-18)20-19(23(31)28-9-7-8-16(28)5)27-22(32-20)21(30)26-15(4)12-29/h9,11,14-16,18-19,34H,4-8,10,12H2,1-3H3,(H,29,30)(H,31,35);9,11,14-17,36H,7-8,10,12H2,1-6H3,(H,29,30)(H,31,34);9-10,14-15,17-18,30H,5-8,11-12H2,1-4H3,(H,25,26)(H,27,31);9,12,14-17,30H,5-8,10-11H2,1-4H3,(H,25,26)(H,27,31);10-11,14-16,29H,6-9,12H2,1-5H3,(H,24,25)(H,26,30)/t14-,15-,18+,19-;14-,15-,16-;14-,15-,17-,18-;14-,15-,16?,17?;14-,15+,16-/m00000/s1
InChIKeyUTSZCYZKUZTBRS-HLQABJGGSA-N
MW2488.17 g/mol
LogP18.62
Rot. Bonds37

About 5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-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

5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-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 (PubChem CID 161191186) has the molecular formula C123H167F4N25O16S5 and a molecular weight of 2488.17 g/mol. Its IUPAC name is 5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-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.

Molecular Properties

Compound Name5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-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
PubChem CID161191186
Molecular FormulaC123H167F4N25O16S5
Molecular Weight2488.17 g/mol
Exact Mass2486.16
IUPAC Name5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-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
SMILESCC[C@H](C)Nc1cc(C)c(-c2sc(C(=O)NC3CC(O)C3)nc2C(=O)N2CCC[C@@H]2C)cn1.CC[C@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@H](C)CO)nc2C(=O)N2CCC[C@@H]2C)cn1.CC[C@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@H]3COC[C@@H]3O)nc2C(=O)N2CCC[C@@H]2C)cn1.Cc1cc(N[C@@H](C)C2CC2)ncc1-c1sc(C(=O)N[C@@H](C)C(C)(C)O)nc1C(=O)N1CC(F)(F)C[C@@H]1C.Cc1cc(N[C@@H](C)C2CC2)ncc1-c1sc(C(=O)N[C@@H]2CCC[C@@H]2O)nc1C(=O)N1CC(F)(F)C[C@@H]1C
InChIInChI=1S/C26H33F2N5O3S.C26H35F2N5O3S.C24H33N5O4S.C24H33N5O3S.C23H33N5O3S/c1-13-9-20(30-15(3)16-7-8-16)29-11-17(13)22-21(25(36)33-12-26(27,28)10-14(33)2)32-24(37-22)23(35)31-18-5-4-6-19(18)34;1-13-9-19(30-15(3)17-7-8-17)29-11-18(13)21-20(24(35)33-12-26(27,28)10-14(33)2)32-23(37-21)22(34)31-16(4)25(5,6)36;1-5-14(3)26-19-9-13(2)16(10-25-19)21-20(24(32)29-8-6-7-15(29)4)28-23(34-21)22(31)27-17-11-33-12-18(17)30;1-5-14(3)26-19-9-13(2)18(12-25-19)21-20(24(32)29-8-6-7-15(29)4)28-23(33-21)22(31)27-16-10-17(30)11-16;1-6-14(3)25-18-10-13(2)17(11-24-18)20-19(23(31)28-9-7-8-16(28)5)27-22(32-20)21(30)26-15(4)12-29/h9,11,14-16,18-19,34H,4-8,10,12H2,1-3H3,(H,29,30)(H,31,35);9,11,14-17,36H,7-8,10,12H2,1-6H3,(H,29,30)(H,31,34);9-10,14-15,17-18,30H,5-8,11-12H2,1-4H3,(H,25,26)(H,27,31);9,12,14-17,30H,5-8,10-11H2,1-4H3,(H,25,26)(H,27,31);10-11,14-16,29H,6-9,12H2,1-5H3,(H,24,25)(H,26,30)/t14-,15-,18+,19-;14-,15-,16-;14-,15-,17-,18-;14-,15-,16?,17?;14-,15+,16-/m00000/s1
InChIKeyUTSZCYZKUZTBRS-HLQABJGGSA-N
XLogP18.62
TPSA546.48 Ų
H-Bond Donors15
H-Bond Acceptors36
Rotatable Bonds37
Heavy Atoms173
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002488.17
LogP ≤ 518.62
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1036

Analyze 5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-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 with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-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?
The IUPAC name of 5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-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 161191186) is 5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-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.
What is the SMILES notation for 5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-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?
The canonical SMILES for 5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-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 is CC[C@H](C)Nc1cc(C)c(-c2sc(C(=O)NC3CC(O)C3)nc2C(=O)N2CCC[C@@H]2C)cn1.CC[C@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@H](C)CO)nc2C(=O)N2CCC[C@@H]2C)cn1.CC[C@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@H]3COC[C@@H]3O)nc2C(=O)N2CCC[C@@H]2C)cn1.Cc1cc(N[C@@H](C)C2CC2)ncc1-c1sc(C(=O)N[C@@H](C)C(C)(C)O)nc1C(=O)N1CC(F)(F)C[C@@H]1C.Cc1cc(N[C@@H](C)C2CC2)ncc1-c1sc(C(=O)N[C@@H]2CCC[C@@H]2O)nc1C(=O)N1CC(F)(F)C[C@@H]1C.
What is the InChIKey of 5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-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?
The InChIKey is UTSZCYZKUZTBRS-HLQABJGGSA-N. The full InChI is InChI=1S/C26H33F2N5O3S.C26H35F2N5O3S.C24H33N5O4S.C24H33N5O3S.C23H33N5O3S/c1-13-9-20(30-15(3)16-7-8-16)29-11-17(13)22-21(25(36)33-12-26(27,28)10-14(33)2)32-24(37-22)23(35)31-18-5-4-6-19(18)34;1-13-9-19(30-15(3)17-7-8-17)29-11-18(13)21-20(24(35)33-12-26(27,28)10-14(33)2)32-23(37-21)22(34)31-16(4)25(5,6)36;1-5-14(3)26-19-9-13(2)16(10-25-19)21-20(24(32)29-8-6-7-15(29)4)28-23(34-21)22(31)27-17-11-33-12-18(17)30;1-5-14(3)26-19-9-13(2)18(12-25-19)21-20(24(32)29-8-6-7-15(29)4)28-23(33-21)22(31)27-16-10-17(30)11-16;1-6-14(3)25-18-10-13(2)17(11-24-18)20-19(23(31)28-9-7-8-16(28)5)27-22(32-20)21(30)26-15(4)12-29/h9,11,14-16,18-19,34H,4-8,10,12H2,1-3H3,(H,29,30)(H,31,35);9,11,14-17,36H,7-8,10,12H2,1-6H3,(H,29,30)(H,31,34);9-10,14-15,17-18,30H,5-8,11-12H2,1-4H3,(H,25,26)(H,27,31);9,12,14-17,30H,5-8,10-11H2,1-4H3,(H,25,26)(H,27,31);10-11,14-16,29H,6-9,12H2,1-5H3,(H,24,25)(H,26,30)/t14-,15-,18+,19-;14-,15-,16-;14-,15-,17-,18-;14-,15-,16?,17?;14-,15+,16-/m00000/s1.
What are the key properties of 5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-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?
5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-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 has a molecular weight of 2488.17 g/mol, XLogP of 18.62, 37 rotatable bonds, 15 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[[(2S)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-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 is sourced from PubChem (CID 161191186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).