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-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2R)-2-hydroxycyclopropyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopropyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclopropyl]-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-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide

C119H161F2N25O15S5 — CID 159763512

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-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2R)-2-hydroxycyclopropyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopropyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclopropyl]-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-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide
SMILESCC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@@H]3C[C@H]3O)nc2C(=O)N2CCC[C@@H]2C)cn1.CC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@H]3C[C@@H]3O)nc2C(=O)N2CCC[C@@H]2C)cn1.CC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@H]3C[C@H]3O)nc2C(=O)N2CCC[C@@H]2C)cn1.CC[C@H](C)Nc1cc(C)c(-c2sc(C(=O)NC3CC(O)C3)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
InChIInChI=1S/C26H35F2N5O3S.C24H33N5O3S.3C23H31N5O3S/c1-13-9-19(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)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;3*1-5-13(3)25-18-9-12(2)15(11-24-18)20-19(23(31)28-8-6-7-14(28)4)27-22(32-20)21(30)26-16-10-17(16)29/h9,11,14-17,36H,7-8,10,12H2,1-6H3,(H,29,30)(H,31,34);9,12,14-17,30H,5-8,10-11H2,1-4H3,(H,25,26)(H,27,31);3*9,11,13-14,16-17,29H,5-8,10H2,1-4H3,(H,24,25)(H,26,30)/t14-,15-,16+;14-,15-,16?,17?;13-,14+,16+,17+;13-,14+,16+,17-;13-,14+,16-,17-/m00111/s1
InChIKeyNFEYDLOMQNNSOO-PCFAAXCESA-N
MW2380.09 g/mol
LogP17.72
Rot. Bonds36

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-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2R)-2-hydroxycyclopropyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopropyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclopropyl]-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-[(2R)-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-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2R)-2-hydroxycyclopropyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopropyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclopropyl]-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-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide (PubChem CID 159763512) has the molecular formula C119H161F2N25O15S5 and a molecular weight of 2380.09 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-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2R)-2-hydroxycyclopropyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopropyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclopropyl]-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-[(2R)-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-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2R)-2-hydroxycyclopropyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopropyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclopropyl]-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-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide
PubChem CID159763512
Molecular FormulaC119H161F2N25O15S5
Molecular Weight2380.09 g/mol
Exact Mass2378.12
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-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2R)-2-hydroxycyclopropyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopropyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclopropyl]-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-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide
SMILESCC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@@H]3C[C@H]3O)nc2C(=O)N2CCC[C@@H]2C)cn1.CC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@H]3C[C@@H]3O)nc2C(=O)N2CCC[C@@H]2C)cn1.CC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@H]3C[C@H]3O)nc2C(=O)N2CCC[C@@H]2C)cn1.CC[C@H](C)Nc1cc(C)c(-c2sc(C(=O)NC3CC(O)C3)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
InChIInChI=1S/C26H35F2N5O3S.C24H33N5O3S.3C23H31N5O3S/c1-13-9-19(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)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;3*1-5-13(3)25-18-9-12(2)15(11-24-18)20-19(23(31)28-8-6-7-14(28)4)27-22(32-20)21(30)26-16-10-17(16)29/h9,11,14-17,36H,7-8,10,12H2,1-6H3,(H,29,30)(H,31,34);9,12,14-17,30H,5-8,10-11H2,1-4H3,(H,25,26)(H,27,31);3*9,11,13-14,16-17,29H,5-8,10H2,1-4H3,(H,24,25)(H,26,30)/t14-,15-,16+;14-,15-,16?,17?;13-,14+,16+,17+;13-,14+,16+,17-;13-,14+,16-,17-/m00111/s1
InChIKeyNFEYDLOMQNNSOO-PCFAAXCESA-N
XLogP17.72
TPSA537.25 Ų
H-Bond Donors15
H-Bond Acceptors35
Rotatable Bonds36
Heavy Atoms166
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002380.09
LogP ≤ 517.72
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1035

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-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2R)-2-hydroxycyclopropyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopropyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclopropyl]-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-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide with MolForge

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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-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2R)-2-hydroxycyclopropyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopropyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclopropyl]-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-[(2R)-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-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2R)-2-hydroxycyclopropyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopropyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclopropyl]-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-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide (CID 159763512) 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-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2R)-2-hydroxycyclopropyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopropyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclopropyl]-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-[(2R)-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-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2R)-2-hydroxycyclopropyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopropyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclopropyl]-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-[(2R)-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-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2R)-2-hydroxycyclopropyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopropyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclopropyl]-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-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide is CC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@@H]3C[C@H]3O)nc2C(=O)N2CCC[C@@H]2C)cn1.CC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@H]3C[C@@H]3O)nc2C(=O)N2CCC[C@@H]2C)cn1.CC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@H]3C[C@H]3O)nc2C(=O)N2CCC[C@@H]2C)cn1.CC[C@H](C)Nc1cc(C)c(-c2sc(C(=O)NC3CC(O)C3)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.
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-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2R)-2-hydroxycyclopropyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopropyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclopropyl]-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-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide?
The InChIKey is NFEYDLOMQNNSOO-PCFAAXCESA-N. The full InChI is InChI=1S/C26H35F2N5O3S.C24H33N5O3S.3C23H31N5O3S/c1-13-9-19(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)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;3*1-5-13(3)25-18-9-12(2)15(11-24-18)20-19(23(31)28-8-6-7-14(28)4)27-22(32-20)21(30)26-16-10-17(16)29/h9,11,14-17,36H,7-8,10,12H2,1-6H3,(H,29,30)(H,31,34);9,12,14-17,30H,5-8,10-11H2,1-4H3,(H,25,26)(H,27,31);3*9,11,13-14,16-17,29H,5-8,10H2,1-4H3,(H,24,25)(H,26,30)/t14-,15-,16+;14-,15-,16?,17?;13-,14+,16+,17+;13-,14+,16+,17-;13-,14+,16-,17-/m00111/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-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2R)-2-hydroxycyclopropyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopropyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclopropyl]-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-[(2R)-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-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2R)-2-hydroxycyclopropyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopropyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclopropyl]-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-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide has a molecular weight of 2380.09 g/mol, XLogP of 17.72, 36 rotatable bonds, 15 hydrogen bond donors, and 35 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-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2R)-2-hydroxycyclopropyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopropyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclopropyl]-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-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 159763512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).