N-[5-[[(2S,4R)-4-(3,5-dimethylpyrazin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,5R)-5-[(2,5-dimethyl-4-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-(6-fluoropyridazin-3-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,5R)-5-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(2-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(6-oxo-1H-pyrimidin-4-yl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,5R)-2-methyl-5-(5-methylpyrazin-2-yl)oxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C135H170F9N39O18S8 — CID 163489881

IUPACN-[5-[[(2S,4R)-4-(3,5-dimethylpyrazin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,5R)-5-[(2,5-dimethyl-4-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-(6-fluoropyridazin-3-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,5R)-5-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(2-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(6-oxo-1H-pyrimidin-4-yl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,5R)-2-methyl-5-(5-methylpyrazin-2-yl)oxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(F)c(CN2C[C@H](Oc3cc(=O)[nH]cn3)C[C@@H]2C)s1.CC(=O)Nc1nc(F)c(CN2C[C@H](Oc3cc(C)ncc3C)CC[C@@H]2C)s1.CC(=O)Nc1nc(F)c(CN2C[C@H](Oc3cc(N4CCOCC4)ncn3)C[C@@H]2C)s1.CC(=O)Nc1nc(F)c(CN2C[C@H](Oc3ccc(F)nn3)C[C@@H]2C)s1.CC(=O)Nc1nc(F)c(CN2C[C@H](Oc3ccnc(C)c3)C[C@@H]2C)s1.CC(=O)Nc1nc(F)c(CN2C[C@H](Oc3ncc(C)nc3C)C[C@@H]2C)s1.CC(=O)Nc1nc(F)c(CN2C[C@H](Oc3ncc(F)cn3)CC[C@@H]2C)s1.CC(=O)Nc1ncc(CN2C[C@H](Oc3cnc(C)cn3)CC[C@@H]2C)s1
InChIInChI=1S/C19H25FN6O3S.C19H25FN4O2S.C17H22FN5O2S.C17H21FN4O2S.C17H23N5O2S.C16H19F2N5O2S.C15H17F2N5O2S.C15H18FN5O3S/c1-12-7-14(9-26(12)10-15-18(20)24-19(30-15)23-13(2)27)29-17-8-16(21-11-22-17)25-3-5-28-6-4-25;1-11-8-21-12(2)7-16(11)26-15-6-5-13(3)24(9-15)10-17-18(20)23-19(27-17)22-14(4)25;1-9-6-19-16(11(3)20-9)25-13-5-10(2)23(7-13)8-14-15(18)22-17(26-14)21-12(4)24;1-10-6-13(4-5-19-10)24-14-7-11(2)22(8-14)9-15-16(18)21-17(25-15)20-12(3)23;1-11-6-19-16(8-18-11)24-14-5-4-12(2)22(9-14)10-15-7-20-17(25-15)21-13(3)23;1-9-3-4-12(25-15-19-5-11(17)6-20-15)7-23(9)8-13-14(18)22-16(26-13)21-10(2)24;1-8-5-10(24-13-4-3-12(16)20-21-13)6-22(8)7-11-14(17)19-15(25-11)18-9(2)23;1-8-3-10(24-13-4-12(23)17-7-18-13)5-21(8)6-11-14(16)20-15(25-11)19-9(2)22/h8,11-12,14H,3-7,9-10H2,1-2H3,(H,23,24,27);7-8,13,15H,5-6,9-10H2,1-4H3,(H,22,23,25);6,10,13H,5,7-8H2,1-4H3,(H,21,22,24);4-6,11,14H,7-9H2,1-3H3,(H,20,21,23);6-8,12,14H,4-5,9-10H2,1-3H3,(H,20,21,23);5-6,9,12H,3-4,7-8H2,1-2H3,(H,21,22,24);3-4,8,10H,5-7H2,1-2H3,(H,18,19,23);4,7-8,10H,3,5-6H2,1-2H3,(H,17,18,23)(H,19,20,22)/t12-,14+;13-,15+;10-,13+;11-,14+;12-,14+;9-,12+;2*8-,10+/m00000000/s1
InChIKeyCLRPLHRNBGJXIX-FZCRGEPFSA-N
MW3054.62 g/mol
LogP20.08
Rot. Bonds41

About N-[5-[[(2S,4R)-4-(3,5-dimethylpyrazin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,5R)-5-[(2,5-dimethyl-4-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-(6-fluoropyridazin-3-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,5R)-5-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(2-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(6-oxo-1H-pyrimidin-4-yl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,5R)-2-methyl-5-(5-methylpyrazin-2-yl)oxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[(2S,4R)-4-(3,5-dimethylpyrazin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,5R)-5-[(2,5-dimethyl-4-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-(6-fluoropyridazin-3-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,5R)-5-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(2-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(6-oxo-1H-pyrimidin-4-yl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,5R)-2-methyl-5-(5-methylpyrazin-2-yl)oxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 163489881) has the molecular formula C135H170F9N39O18S8 and a molecular weight of 3054.62 g/mol. Its IUPAC name is N-[5-[[(2S,4R)-4-(3,5-dimethylpyrazin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,5R)-5-[(2,5-dimethyl-4-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-(6-fluoropyridazin-3-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,5R)-5-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(2-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(6-oxo-1H-pyrimidin-4-yl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,5R)-2-methyl-5-(5-methylpyrazin-2-yl)oxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(2S,4R)-4-(3,5-dimethylpyrazin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,5R)-5-[(2,5-dimethyl-4-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-(6-fluoropyridazin-3-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,5R)-5-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(2-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(6-oxo-1H-pyrimidin-4-yl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,5R)-2-methyl-5-(5-methylpyrazin-2-yl)oxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID163489881
Molecular FormulaC135H170F9N39O18S8
Molecular Weight3054.62 g/mol
Exact Mass3052.12
IUPAC NameN-[5-[[(2S,4R)-4-(3,5-dimethylpyrazin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,5R)-5-[(2,5-dimethyl-4-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-(6-fluoropyridazin-3-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,5R)-5-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(2-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(6-oxo-1H-pyrimidin-4-yl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,5R)-2-methyl-5-(5-methylpyrazin-2-yl)oxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(F)c(CN2C[C@H](Oc3cc(=O)[nH]cn3)C[C@@H]2C)s1.CC(=O)Nc1nc(F)c(CN2C[C@H](Oc3cc(C)ncc3C)CC[C@@H]2C)s1.CC(=O)Nc1nc(F)c(CN2C[C@H](Oc3cc(N4CCOCC4)ncn3)C[C@@H]2C)s1.CC(=O)Nc1nc(F)c(CN2C[C@H](Oc3ccc(F)nn3)C[C@@H]2C)s1.CC(=O)Nc1nc(F)c(CN2C[C@H](Oc3ccnc(C)c3)C[C@@H]2C)s1.CC(=O)Nc1nc(F)c(CN2C[C@H](Oc3ncc(C)nc3C)C[C@@H]2C)s1.CC(=O)Nc1nc(F)c(CN2C[C@H](Oc3ncc(F)cn3)CC[C@@H]2C)s1.CC(=O)Nc1ncc(CN2C[C@H](Oc3cnc(C)cn3)CC[C@@H]2C)s1
InChIInChI=1S/C19H25FN6O3S.C19H25FN4O2S.C17H22FN5O2S.C17H21FN4O2S.C17H23N5O2S.C16H19F2N5O2S.C15H17F2N5O2S.C15H18FN5O3S/c1-12-7-14(9-26(12)10-15-18(20)24-19(30-15)23-13(2)27)29-17-8-16(21-11-22-17)25-3-5-28-6-4-25;1-11-8-21-12(2)7-16(11)26-15-6-5-13(3)24(9-15)10-17-18(20)23-19(27-17)22-14(4)25;1-9-6-19-16(11(3)20-9)25-13-5-10(2)23(7-13)8-14-15(18)22-17(26-14)21-12(4)24;1-10-6-13(4-5-19-10)24-14-7-11(2)22(8-14)9-15-16(18)21-17(25-15)20-12(3)23;1-11-6-19-16(8-18-11)24-14-5-4-12(2)22(9-14)10-15-7-20-17(25-15)21-13(3)23;1-9-3-4-12(25-15-19-5-11(17)6-20-15)7-23(9)8-13-14(18)22-16(26-13)21-10(2)24;1-8-5-10(24-13-4-3-12(16)20-21-13)6-22(8)7-11-14(17)19-15(25-11)18-9(2)23;1-8-3-10(24-13-4-12(23)17-7-18-13)5-21(8)6-11-14(16)20-15(25-11)19-9(2)22/h8,11-12,14H,3-7,9-10H2,1-2H3,(H,23,24,27);7-8,13,15H,5-6,9-10H2,1-4H3,(H,22,23,25);6,10,13H,5,7-8H2,1-4H3,(H,21,22,24);4-6,11,14H,7-9H2,1-3H3,(H,20,21,23);6-8,12,14H,4-5,9-10H2,1-3H3,(H,20,21,23);5-6,9,12H,3-4,7-8H2,1-2H3,(H,21,22,24);3-4,8,10H,5-7H2,1-2H3,(H,18,19,23);4,7-8,10H,3,5-6H2,1-2H3,(H,17,18,23)(H,19,20,22)/t12-,14+;13-,15+;10-,13+;11-,14+;12-,14+;9-,12+;2*8-,10+/m00000000/s1
InChIKeyCLRPLHRNBGJXIX-FZCRGEPFSA-N
XLogP20.08
TPSA648.58 Ų
H-Bond Donors9
H-Bond Acceptors56
Rotatable Bonds41
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003054.62
LogP ≤ 520.08
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1056

Analyze N-[5-[[(2S,4R)-4-(3,5-dimethylpyrazin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,5R)-5-[(2,5-dimethyl-4-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-(6-fluoropyridazin-3-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,5R)-5-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(2-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(6-oxo-1H-pyrimidin-4-yl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,5R)-2-methyl-5-(5-methylpyrazin-2-yl)oxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[(2S,4R)-4-(3,5-dimethylpyrazin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,5R)-5-[(2,5-dimethyl-4-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-(6-fluoropyridazin-3-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,5R)-5-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(2-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(6-oxo-1H-pyrimidin-4-yl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,5R)-2-methyl-5-(5-methylpyrazin-2-yl)oxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(2S,4R)-4-(3,5-dimethylpyrazin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,5R)-5-[(2,5-dimethyl-4-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-(6-fluoropyridazin-3-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,5R)-5-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(2-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(6-oxo-1H-pyrimidin-4-yl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,5R)-2-methyl-5-(5-methylpyrazin-2-yl)oxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 163489881) is N-[5-[[(2S,4R)-4-(3,5-dimethylpyrazin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,5R)-5-[(2,5-dimethyl-4-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-(6-fluoropyridazin-3-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,5R)-5-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(2-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(6-oxo-1H-pyrimidin-4-yl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,5R)-2-methyl-5-(5-methylpyrazin-2-yl)oxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(2S,4R)-4-(3,5-dimethylpyrazin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,5R)-5-[(2,5-dimethyl-4-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-(6-fluoropyridazin-3-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,5R)-5-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(2-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(6-oxo-1H-pyrimidin-4-yl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,5R)-2-methyl-5-(5-methylpyrazin-2-yl)oxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(2S,4R)-4-(3,5-dimethylpyrazin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,5R)-5-[(2,5-dimethyl-4-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-(6-fluoropyridazin-3-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,5R)-5-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(2-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(6-oxo-1H-pyrimidin-4-yl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,5R)-2-methyl-5-(5-methylpyrazin-2-yl)oxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(F)c(CN2C[C@H](Oc3cc(=O)[nH]cn3)C[C@@H]2C)s1.CC(=O)Nc1nc(F)c(CN2C[C@H](Oc3cc(C)ncc3C)CC[C@@H]2C)s1.CC(=O)Nc1nc(F)c(CN2C[C@H](Oc3cc(N4CCOCC4)ncn3)C[C@@H]2C)s1.CC(=O)Nc1nc(F)c(CN2C[C@H](Oc3ccc(F)nn3)C[C@@H]2C)s1.CC(=O)Nc1nc(F)c(CN2C[C@H](Oc3ccnc(C)c3)C[C@@H]2C)s1.CC(=O)Nc1nc(F)c(CN2C[C@H](Oc3ncc(C)nc3C)C[C@@H]2C)s1.CC(=O)Nc1nc(F)c(CN2C[C@H](Oc3ncc(F)cn3)CC[C@@H]2C)s1.CC(=O)Nc1ncc(CN2C[C@H](Oc3cnc(C)cn3)CC[C@@H]2C)s1.
What is the InChIKey of N-[5-[[(2S,4R)-4-(3,5-dimethylpyrazin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,5R)-5-[(2,5-dimethyl-4-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-(6-fluoropyridazin-3-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,5R)-5-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(2-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(6-oxo-1H-pyrimidin-4-yl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,5R)-2-methyl-5-(5-methylpyrazin-2-yl)oxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is CLRPLHRNBGJXIX-FZCRGEPFSA-N. The full InChI is InChI=1S/C19H25FN6O3S.C19H25FN4O2S.C17H22FN5O2S.C17H21FN4O2S.C17H23N5O2S.C16H19F2N5O2S.C15H17F2N5O2S.C15H18FN5O3S/c1-12-7-14(9-26(12)10-15-18(20)24-19(30-15)23-13(2)27)29-17-8-16(21-11-22-17)25-3-5-28-6-4-25;1-11-8-21-12(2)7-16(11)26-15-6-5-13(3)24(9-15)10-17-18(20)23-19(27-17)22-14(4)25;1-9-6-19-16(11(3)20-9)25-13-5-10(2)23(7-13)8-14-15(18)22-17(26-14)21-12(4)24;1-10-6-13(4-5-19-10)24-14-7-11(2)22(8-14)9-15-16(18)21-17(25-15)20-12(3)23;1-11-6-19-16(8-18-11)24-14-5-4-12(2)22(9-14)10-15-7-20-17(25-15)21-13(3)23;1-9-3-4-12(25-15-19-5-11(17)6-20-15)7-23(9)8-13-14(18)22-16(26-13)21-10(2)24;1-8-5-10(24-13-4-3-12(16)20-21-13)6-22(8)7-11-14(17)19-15(25-11)18-9(2)23;1-8-3-10(24-13-4-12(23)17-7-18-13)5-21(8)6-11-14(16)20-15(25-11)19-9(2)22/h8,11-12,14H,3-7,9-10H2,1-2H3,(H,23,24,27);7-8,13,15H,5-6,9-10H2,1-4H3,(H,22,23,25);6,10,13H,5,7-8H2,1-4H3,(H,21,22,24);4-6,11,14H,7-9H2,1-3H3,(H,20,21,23);6-8,12,14H,4-5,9-10H2,1-3H3,(H,20,21,23);5-6,9,12H,3-4,7-8H2,1-2H3,(H,21,22,24);3-4,8,10H,5-7H2,1-2H3,(H,18,19,23);4,7-8,10H,3,5-6H2,1-2H3,(H,17,18,23)(H,19,20,22)/t12-,14+;13-,15+;10-,13+;11-,14+;12-,14+;9-,12+;2*8-,10+/m00000000/s1.
What are the key properties of N-[5-[[(2S,4R)-4-(3,5-dimethylpyrazin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,5R)-5-[(2,5-dimethyl-4-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-(6-fluoropyridazin-3-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,5R)-5-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(2-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(6-oxo-1H-pyrimidin-4-yl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,5R)-2-methyl-5-(5-methylpyrazin-2-yl)oxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[(2S,4R)-4-(3,5-dimethylpyrazin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,5R)-5-[(2,5-dimethyl-4-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-(6-fluoropyridazin-3-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,5R)-5-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(2-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(6-oxo-1H-pyrimidin-4-yl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,5R)-2-methyl-5-(5-methylpyrazin-2-yl)oxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 3054.62 g/mol, XLogP of 20.08, 41 rotatable bonds, 9 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(2S,4R)-4-(3,5-dimethylpyrazin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,5R)-5-[(2,5-dimethyl-4-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-(6-fluoropyridazin-3-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,5R)-5-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(2-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(6-oxo-1H-pyrimidin-4-yl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,5R)-2-methyl-5-(5-methylpyrazin-2-yl)oxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 163489881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).