5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3R)-3-hydroxy-3-methylpyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3S)-3-hydroxy-3-methylpyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone

C146H201FN30O18S6 — CID 157370578

IUPAC5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3R)-3-hydroxy-3-methylpyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3S)-3-hydroxy-3-methylpyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
SMILESCC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@H]3CC[C@@H]3O)nc2C(=O)N2CCC[C@@H]2C)cn1.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)N2CC[C@@](C)(O)C2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)N2CC[C@](C)(O)C2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)N2C[C@@H](O)[C@H](F)C2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)N[C@@H]2CC[C@H]2O)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)N[C@H]2CC[C@@H]2O)nc1C(=O)N1CCC[C@@H]1C
InChIInChI=1S/2C25H35N5O3S.C24H32FN5O3S.3C24H33N5O3S/c2*1-15-12-18(28-24(3,4)5)26-13-17(15)20-19(22(31)30-10-7-8-16(30)2)27-21(34-20)23(32)29-11-9-25(6,33)14-29;1-13-9-18(28-24(3,4)5)26-10-15(13)20-19(22(32)30-8-6-7-14(30)2)27-21(34-20)23(33)29-11-16(25)17(31)12-29;2*1-13-11-18(28-24(3,4)5)25-12-15(13)20-19(23(32)29-10-6-7-14(29)2)27-22(33-20)21(31)26-16-8-9-17(16)30;1-5-14(3)26-19-11-13(2)16(12-25-19)21-20(24(32)29-10-6-7-15(29)4)28-23(33-21)22(31)27-17-8-9-18(17)30/h2*12-13,16,33H,7-11,14H2,1-6H3,(H,26,28);9-10,14,16-17,31H,6-8,11-12H2,1-5H3,(H,26,28);2*11-12,14,16-17,30H,6-10H2,1-5H3,(H,25,28)(H,26,31);11-12,14-15,17-18,30H,5-10H2,1-4H3,(H,25,26)(H,27,31)/t16-,25+;16-,25-;2*14-,16+,17+;14-,16-,17-;14-,15+,17+,18+/m000001/s1
InChIKeyBJSFCYDCMSHBAG-VRSVWBJVSA-N
MW2875.81 g/mol
LogP22.20
Rot. Bonds29

About 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3R)-3-hydroxy-3-methylpyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3S)-3-hydroxy-3-methylpyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone

5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3R)-3-hydroxy-3-methylpyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3S)-3-hydroxy-3-methylpyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone (PubChem CID 157370578) has the molecular formula C146H201FN30O18S6 and a molecular weight of 2875.81 g/mol. Its IUPAC name is 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3R)-3-hydroxy-3-methylpyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3S)-3-hydroxy-3-methylpyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3R)-3-hydroxy-3-methylpyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3S)-3-hydroxy-3-methylpyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
PubChem CID157370578
Molecular FormulaC146H201FN30O18S6
Molecular Weight2875.81 g/mol
Exact Mass2873.40
IUPAC Name5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3R)-3-hydroxy-3-methylpyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3S)-3-hydroxy-3-methylpyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
SMILESCC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@H]3CC[C@@H]3O)nc2C(=O)N2CCC[C@@H]2C)cn1.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)N2CC[C@@](C)(O)C2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)N2CC[C@](C)(O)C2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)N2C[C@@H](O)[C@H](F)C2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)N[C@@H]2CC[C@H]2O)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)N[C@H]2CC[C@@H]2O)nc1C(=O)N1CCC[C@@H]1C
InChIInChI=1S/2C25H35N5O3S.C24H32FN5O3S.3C24H33N5O3S/c2*1-15-12-18(28-24(3,4)5)26-13-17(15)20-19(22(31)30-10-7-8-16(30)2)27-21(34-20)23(32)29-11-9-25(6,33)14-29;1-13-9-18(28-24(3,4)5)26-10-15(13)20-19(22(32)30-8-6-7-14(30)2)27-21(34-20)23(33)29-11-16(25)17(31)12-29;2*1-13-11-18(28-24(3,4)5)25-12-15(13)20-19(23(32)29-10-6-7-14(29)2)27-22(33-20)21(31)26-16-8-9-17(16)30;1-5-14(3)26-19-11-13(2)16(12-25-19)21-20(24(32)29-10-6-7-15(29)4)28-23(33-21)22(31)27-17-8-9-18(17)30/h2*12-13,16,33H,7-11,14H2,1-6H3,(H,26,28);9-10,14,16-17,31H,6-8,11-12H2,1-5H3,(H,26,28);2*11-12,14,16-17,30H,6-10H2,1-5H3,(H,25,28)(H,26,31);11-12,14-15,17-18,30H,5-10H2,1-4H3,(H,25,26)(H,27,31)/t16-,25+;16-,25-;2*14-,16+,17+;14-,16-,17-;14-,15+,17+,18+/m000001/s1
InChIKeyBJSFCYDCMSHBAG-VRSVWBJVSA-N
XLogP22.20
TPSA618.33 Ų
H-Bond Donors15
H-Bond Acceptors42
Rotatable Bonds29
Heavy Atoms201
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002875.81
LogP ≤ 522.20
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1042

Analyze 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3R)-3-hydroxy-3-methylpyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3S)-3-hydroxy-3-methylpyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3R)-3-hydroxy-3-methylpyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3S)-3-hydroxy-3-methylpyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone?
The IUPAC name of 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3R)-3-hydroxy-3-methylpyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3S)-3-hydroxy-3-methylpyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone (CID 157370578) is 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3R)-3-hydroxy-3-methylpyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3S)-3-hydroxy-3-methylpyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3R)-3-hydroxy-3-methylpyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3S)-3-hydroxy-3-methylpyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3R)-3-hydroxy-3-methylpyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3S)-3-hydroxy-3-methylpyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone is CC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@H]3CC[C@@H]3O)nc2C(=O)N2CCC[C@@H]2C)cn1.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)N2CC[C@@](C)(O)C2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)N2CC[C@](C)(O)C2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)N2C[C@@H](O)[C@H](F)C2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)N[C@@H]2CC[C@H]2O)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)N[C@H]2CC[C@@H]2O)nc1C(=O)N1CCC[C@@H]1C.
What is the InChIKey of 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3R)-3-hydroxy-3-methylpyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3S)-3-hydroxy-3-methylpyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone?
The InChIKey is BJSFCYDCMSHBAG-VRSVWBJVSA-N. The full InChI is InChI=1S/2C25H35N5O3S.C24H32FN5O3S.3C24H33N5O3S/c2*1-15-12-18(28-24(3,4)5)26-13-17(15)20-19(22(31)30-10-7-8-16(30)2)27-21(34-20)23(32)29-11-9-25(6,33)14-29;1-13-9-18(28-24(3,4)5)26-10-15(13)20-19(22(32)30-8-6-7-14(30)2)27-21(34-20)23(33)29-11-16(25)17(31)12-29;2*1-13-11-18(28-24(3,4)5)25-12-15(13)20-19(23(32)29-10-6-7-14(29)2)27-22(33-20)21(31)26-16-8-9-17(16)30;1-5-14(3)26-19-11-13(2)16(12-25-19)21-20(24(32)29-10-6-7-15(29)4)28-23(33-21)22(31)27-17-8-9-18(17)30/h2*12-13,16,33H,7-11,14H2,1-6H3,(H,26,28);9-10,14,16-17,31H,6-8,11-12H2,1-5H3,(H,26,28);2*11-12,14,16-17,30H,6-10H2,1-5H3,(H,25,28)(H,26,31);11-12,14-15,17-18,30H,5-10H2,1-4H3,(H,25,26)(H,27,31)/t16-,25+;16-,25-;2*14-,16+,17+;14-,16-,17-;14-,15+,17+,18+/m000001/s1.
What are the key properties of 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3R)-3-hydroxy-3-methylpyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3S)-3-hydroxy-3-methylpyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone?
5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3R)-3-hydroxy-3-methylpyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3S)-3-hydroxy-3-methylpyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone has a molecular weight of 2875.81 g/mol, XLogP of 22.20, 29 rotatable bonds, 15 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclobutyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3R)-3-hydroxy-3-methylpyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone;[5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-2-[(3S)-3-hydroxy-3-methylpyrrolidine-1-carbonyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 157370578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).