N-[5-[[(2S,4R)-4-[5-(difluoromethyl)pyrazin-2-yl]oxy-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(5-fluoro-4-methoxy-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(5-fluoro-4-methyl-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-(5-fluoropyrazin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(6-methoxy-3-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[6-(oxetan-3-yloxy)pyrimidin-4-yl]oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-pyrimidin-5-yloxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C132H157F13N36O20S8 — CID 163716103

IUPACN-[5-[[(2S,4R)-4-[5-(difluoromethyl)pyrazin-2-yl]oxy-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(5-fluoro-4-methoxy-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(5-fluoro-4-methyl-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-(5-fluoropyrazin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(6-methoxy-3-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[6-(oxetan-3-yloxy)pyrimidin-4-yl]oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-pyrimidin-5-yloxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(F)c(CN2C[C@H](Oc3cc(C)c(F)cn3)C[C@@H]2C)s1.CC(=O)Nc1nc(F)c(CN2C[C@H](Oc3cc(OC4COC4)ncn3)C[C@@H]2C)s1.CC(=O)Nc1nc(F)c(CN2C[C@H](Oc3ccc(C)nc3)C[C@@H]2C)s1.CC(=O)Nc1nc(F)c(CN2C[C@H](Oc3cnc(C(F)F)cn3)C[C@@H]2C)s1.CC(=O)Nc1nc(F)c(CN2C[C@H](Oc3cnc(F)cn3)C[C@@H]2C)s1.CC(=O)Nc1nc(F)c(CN2C[C@H](Oc3cncnc3)C[C@@H]2C)s1.COc1cc(O[C@@H]2C[C@H](C)N(Cc3sc(NC(C)=O)nc3F)C2)ncc1F.COc1ccc(O[C@@H]2C[C@H](C)N(Cc3sc(NC(C)=O)nc3F)C2)cn1
InChIInChI=1S/C18H22FN5O4S.C17H20F2N4O3S.C17H20F2N4O2S.C17H21FN4O3S.C17H21FN4O2S.C16H18F3N5O2S.C15H17F2N5O2S.C15H18FN5O2S/c1-10-3-12(27-15-4-16(21-9-20-15)28-13-7-26-8-13)5-24(10)6-14-17(19)23-18(29-14)22-11(2)25;1-9-4-11(26-15-5-13(25-3)12(18)6-20-15)7-23(9)8-14-16(19)22-17(27-14)21-10(2)24;1-9-4-15(20-6-13(9)18)25-12-5-10(2)23(7-12)8-14-16(19)22-17(26-14)21-11(3)24;1-10-6-13(25-12-4-5-15(24-3)19-7-12)8-22(10)9-14-16(18)21-17(26-14)20-11(2)23;1-10-4-5-13(7-19-10)24-14-6-11(2)22(8-14)9-15-16(18)21-17(25-15)20-12(3)23;1-8-3-10(26-13-5-20-11(4-21-13)14(17)18)6-24(8)7-12-15(19)23-16(27-12)22-9(2)25;1-8-3-10(24-13-5-18-12(16)4-19-13)6-22(8)7-11-14(17)21-15(25-11)20-9(2)23;1-9-3-11(23-12-4-17-8-18-5-12)6-21(9)7-13-14(16)20-15(24-13)19-10(2)22/h4,9-10,12-13H,3,5-8H2,1-2H3,(H,22,23,25);5-6,9,11H,4,7-8H2,1-3H3,(H,21,22,24);4,6,10,12H,5,7-8H2,1-3H3,(H,21,22,24);4-5,7,10,13H,6,8-9H2,1-3H3,(H,20,21,23);4-5,7,11,14H,6,8-9H2,1-3H3,(H,20,21,23);4-5,8,10,14H,3,6-7H2,1-2H3,(H,22,23,25);4-5,8,10H,3,6-7H2,1-2H3,(H,20,21,23);4-5,8-9,11H,3,6-7H2,1-2H3,(H,19,20,22)/t10-,12+;9-,11+;10-,12+;10-,13+;11-,14+;2*8-,10+;9-,11+/m00000000/s1
InChIKeyKNLWWIUXMDIBRZ-YTGDOSJXSA-N
MW3071.45 g/mol
LogP20.77
Rot. Bonds45

About N-[5-[[(2S,4R)-4-[5-(difluoromethyl)pyrazin-2-yl]oxy-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(5-fluoro-4-methoxy-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(5-fluoro-4-methyl-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-(5-fluoropyrazin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(6-methoxy-3-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[6-(oxetan-3-yloxy)pyrimidin-4-yl]oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-pyrimidin-5-yloxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[(2S,4R)-4-[5-(difluoromethyl)pyrazin-2-yl]oxy-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(5-fluoro-4-methoxy-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(5-fluoro-4-methyl-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-(5-fluoropyrazin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(6-methoxy-3-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[6-(oxetan-3-yloxy)pyrimidin-4-yl]oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-pyrimidin-5-yloxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 163716103) has the molecular formula C132H157F13N36O20S8 and a molecular weight of 3071.45 g/mol. Its IUPAC name is N-[5-[[(2S,4R)-4-[5-(difluoromethyl)pyrazin-2-yl]oxy-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(5-fluoro-4-methoxy-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(5-fluoro-4-methyl-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-(5-fluoropyrazin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(6-methoxy-3-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[6-(oxetan-3-yloxy)pyrimidin-4-yl]oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-pyrimidin-5-yloxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(2S,4R)-4-[5-(difluoromethyl)pyrazin-2-yl]oxy-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(5-fluoro-4-methoxy-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(5-fluoro-4-methyl-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-(5-fluoropyrazin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(6-methoxy-3-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[6-(oxetan-3-yloxy)pyrimidin-4-yl]oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-pyrimidin-5-yloxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID163716103
Molecular FormulaC132H157F13N36O20S8
Molecular Weight3071.45 g/mol
Exact Mass3068.99
IUPAC NameN-[5-[[(2S,4R)-4-[5-(difluoromethyl)pyrazin-2-yl]oxy-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(5-fluoro-4-methoxy-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(5-fluoro-4-methyl-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-(5-fluoropyrazin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(6-methoxy-3-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[6-(oxetan-3-yloxy)pyrimidin-4-yl]oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-pyrimidin-5-yloxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(F)c(CN2C[C@H](Oc3cc(C)c(F)cn3)C[C@@H]2C)s1.CC(=O)Nc1nc(F)c(CN2C[C@H](Oc3cc(OC4COC4)ncn3)C[C@@H]2C)s1.CC(=O)Nc1nc(F)c(CN2C[C@H](Oc3ccc(C)nc3)C[C@@H]2C)s1.CC(=O)Nc1nc(F)c(CN2C[C@H](Oc3cnc(C(F)F)cn3)C[C@@H]2C)s1.CC(=O)Nc1nc(F)c(CN2C[C@H](Oc3cnc(F)cn3)C[C@@H]2C)s1.CC(=O)Nc1nc(F)c(CN2C[C@H](Oc3cncnc3)C[C@@H]2C)s1.COc1cc(O[C@@H]2C[C@H](C)N(Cc3sc(NC(C)=O)nc3F)C2)ncc1F.COc1ccc(O[C@@H]2C[C@H](C)N(Cc3sc(NC(C)=O)nc3F)C2)cn1
InChIInChI=1S/C18H22FN5O4S.C17H20F2N4O3S.C17H20F2N4O2S.C17H21FN4O3S.C17H21FN4O2S.C16H18F3N5O2S.C15H17F2N5O2S.C15H18FN5O2S/c1-10-3-12(27-15-4-16(21-9-20-15)28-13-7-26-8-13)5-24(10)6-14-17(19)23-18(29-14)22-11(2)25;1-9-4-11(26-15-5-13(25-3)12(18)6-20-15)7-23(9)8-14-16(19)22-17(27-14)21-10(2)24;1-9-4-15(20-6-13(9)18)25-12-5-10(2)23(7-12)8-14-16(19)22-17(26-14)21-11(3)24;1-10-6-13(25-12-4-5-15(24-3)19-7-12)8-22(10)9-14-16(18)21-17(26-14)20-11(2)23;1-10-4-5-13(7-19-10)24-14-6-11(2)22(8-14)9-15-16(18)21-17(25-15)20-12(3)23;1-8-3-10(26-13-5-20-11(4-21-13)14(17)18)6-24(8)7-12-15(19)23-16(27-12)22-9(2)25;1-8-3-10(24-13-5-18-12(16)4-19-13)6-22(8)7-11-14(17)21-15(25-11)20-9(2)23;1-9-3-11(23-12-4-17-8-18-5-12)6-21(9)7-13-14(16)20-15(24-13)19-10(2)22/h4,9-10,12-13H,3,5-8H2,1-2H3,(H,22,23,25);5-6,9,11H,4,7-8H2,1-3H3,(H,21,22,24);4,6,10,12H,5,7-8H2,1-3H3,(H,21,22,24);4-5,7,10,13H,6,8-9H2,1-3H3,(H,20,21,23);4-5,7,11,14H,6,8-9H2,1-3H3,(H,20,21,23);4-5,8,10,14H,3,6-7H2,1-2H3,(H,22,23,25);4-5,8,10H,3,6-7H2,1-2H3,(H,20,21,23);4-5,8-9,11H,3,6-7H2,1-2H3,(H,19,20,22)/t10-,12+;9-,11+;10-,12+;10-,13+;11-,14+;2*8-,10+;9-,11+/m00000000/s1
InChIKeyKNLWWIUXMDIBRZ-YTGDOSJXSA-N
XLogP20.77
TPSA627.28 Ų
H-Bond Donors8
H-Bond Acceptors56
Rotatable Bonds45
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003071.45
LogP ≤ 520.77
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1056

Analyze N-[5-[[(2S,4R)-4-[5-(difluoromethyl)pyrazin-2-yl]oxy-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(5-fluoro-4-methoxy-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(5-fluoro-4-methyl-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-(5-fluoropyrazin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(6-methoxy-3-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[6-(oxetan-3-yloxy)pyrimidin-4-yl]oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-pyrimidin-5-yloxypyrrolidin-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-[5-(difluoromethyl)pyrazin-2-yl]oxy-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(5-fluoro-4-methoxy-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(5-fluoro-4-methyl-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-(5-fluoropyrazin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(6-methoxy-3-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[6-(oxetan-3-yloxy)pyrimidin-4-yl]oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-pyrimidin-5-yloxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(2S,4R)-4-[5-(difluoromethyl)pyrazin-2-yl]oxy-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(5-fluoro-4-methoxy-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(5-fluoro-4-methyl-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-(5-fluoropyrazin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(6-methoxy-3-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[6-(oxetan-3-yloxy)pyrimidin-4-yl]oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-pyrimidin-5-yloxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 163716103) is N-[5-[[(2S,4R)-4-[5-(difluoromethyl)pyrazin-2-yl]oxy-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(5-fluoro-4-methoxy-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(5-fluoro-4-methyl-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-(5-fluoropyrazin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(6-methoxy-3-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[6-(oxetan-3-yloxy)pyrimidin-4-yl]oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-pyrimidin-5-yloxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(2S,4R)-4-[5-(difluoromethyl)pyrazin-2-yl]oxy-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(5-fluoro-4-methoxy-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(5-fluoro-4-methyl-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-(5-fluoropyrazin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(6-methoxy-3-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[6-(oxetan-3-yloxy)pyrimidin-4-yl]oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-pyrimidin-5-yloxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(2S,4R)-4-[5-(difluoromethyl)pyrazin-2-yl]oxy-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(5-fluoro-4-methoxy-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(5-fluoro-4-methyl-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-(5-fluoropyrazin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(6-methoxy-3-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[6-(oxetan-3-yloxy)pyrimidin-4-yl]oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-pyrimidin-5-yloxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(F)c(CN2C[C@H](Oc3cc(C)c(F)cn3)C[C@@H]2C)s1.CC(=O)Nc1nc(F)c(CN2C[C@H](Oc3cc(OC4COC4)ncn3)C[C@@H]2C)s1.CC(=O)Nc1nc(F)c(CN2C[C@H](Oc3ccc(C)nc3)C[C@@H]2C)s1.CC(=O)Nc1nc(F)c(CN2C[C@H](Oc3cnc(C(F)F)cn3)C[C@@H]2C)s1.CC(=O)Nc1nc(F)c(CN2C[C@H](Oc3cnc(F)cn3)C[C@@H]2C)s1.CC(=O)Nc1nc(F)c(CN2C[C@H](Oc3cncnc3)C[C@@H]2C)s1.COc1cc(O[C@@H]2C[C@H](C)N(Cc3sc(NC(C)=O)nc3F)C2)ncc1F.COc1ccc(O[C@@H]2C[C@H](C)N(Cc3sc(NC(C)=O)nc3F)C2)cn1.
What is the InChIKey of N-[5-[[(2S,4R)-4-[5-(difluoromethyl)pyrazin-2-yl]oxy-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(5-fluoro-4-methoxy-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(5-fluoro-4-methyl-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-(5-fluoropyrazin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(6-methoxy-3-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[6-(oxetan-3-yloxy)pyrimidin-4-yl]oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-pyrimidin-5-yloxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is KNLWWIUXMDIBRZ-YTGDOSJXSA-N. The full InChI is InChI=1S/C18H22FN5O4S.C17H20F2N4O3S.C17H20F2N4O2S.C17H21FN4O3S.C17H21FN4O2S.C16H18F3N5O2S.C15H17F2N5O2S.C15H18FN5O2S/c1-10-3-12(27-15-4-16(21-9-20-15)28-13-7-26-8-13)5-24(10)6-14-17(19)23-18(29-14)22-11(2)25;1-9-4-11(26-15-5-13(25-3)12(18)6-20-15)7-23(9)8-14-16(19)22-17(27-14)21-10(2)24;1-9-4-15(20-6-13(9)18)25-12-5-10(2)23(7-12)8-14-16(19)22-17(26-14)21-11(3)24;1-10-6-13(25-12-4-5-15(24-3)19-7-12)8-22(10)9-14-16(18)21-17(26-14)20-11(2)23;1-10-4-5-13(7-19-10)24-14-6-11(2)22(8-14)9-15-16(18)21-17(25-15)20-12(3)23;1-8-3-10(26-13-5-20-11(4-21-13)14(17)18)6-24(8)7-12-15(19)23-16(27-12)22-9(2)25;1-8-3-10(24-13-5-18-12(16)4-19-13)6-22(8)7-11-14(17)21-15(25-11)20-9(2)23;1-9-3-11(23-12-4-17-8-18-5-12)6-21(9)7-13-14(16)20-15(24-13)19-10(2)22/h4,9-10,12-13H,3,5-8H2,1-2H3,(H,22,23,25);5-6,9,11H,4,7-8H2,1-3H3,(H,21,22,24);4,6,10,12H,5,7-8H2,1-3H3,(H,21,22,24);4-5,7,10,13H,6,8-9H2,1-3H3,(H,20,21,23);4-5,7,11,14H,6,8-9H2,1-3H3,(H,20,21,23);4-5,8,10,14H,3,6-7H2,1-2H3,(H,22,23,25);4-5,8,10H,3,6-7H2,1-2H3,(H,20,21,23);4-5,8-9,11H,3,6-7H2,1-2H3,(H,19,20,22)/t10-,12+;9-,11+;10-,12+;10-,13+;11-,14+;2*8-,10+;9-,11+/m00000000/s1.
What are the key properties of N-[5-[[(2S,4R)-4-[5-(difluoromethyl)pyrazin-2-yl]oxy-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(5-fluoro-4-methoxy-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(5-fluoro-4-methyl-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-(5-fluoropyrazin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(6-methoxy-3-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[6-(oxetan-3-yloxy)pyrimidin-4-yl]oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-pyrimidin-5-yloxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[(2S,4R)-4-[5-(difluoromethyl)pyrazin-2-yl]oxy-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(5-fluoro-4-methoxy-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(5-fluoro-4-methyl-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-(5-fluoropyrazin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(6-methoxy-3-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[6-(oxetan-3-yloxy)pyrimidin-4-yl]oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-pyrimidin-5-yloxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 3071.45 g/mol, XLogP of 20.77, 45 rotatable bonds, 8 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(2S,4R)-4-[5-(difluoromethyl)pyrazin-2-yl]oxy-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(5-fluoro-4-methoxy-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(5-fluoro-4-methyl-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-(5-fluoropyrazin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-4-[(6-methoxy-3-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[6-(oxetan-3-yloxy)pyrimidin-4-yl]oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-pyrimidin-5-yloxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 163716103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).