N-cyclopentyl-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide;N-cyclopentyl-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methylacetamide;1-(4,4-difluoropiperidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-piperidin-1-ylethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-pyrrolidin-1-ylethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-[1-(trifluoromethyl)cyclopropyl]acetamide

C167H215F11N24O12 — CID 159001786

IUPACN-cyclopentyl-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide;N-cyclopentyl-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methylacetamide;1-(4,4-difluoropiperidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-piperidin-1-ylethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-pyrrolidin-1-ylethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-[1-(trifluoromethyl)cyclopropyl]acetamide
SMILESCc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N(C)C4CCCC4)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCC(F)(F)CC4)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCCC4)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCCCC4)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)NC4(C(F)(F)F)CC4)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)NC4CCCC4)c(F)c3)CC2)nc1
InChIInChI=1S/C29H39FN4O2.C28H35F3N4O2.2C28H37FN4O2.C27H32F4N4O2.C27H35FN4O2/c1-20-18-31-29(32-19-20)34-12-9-21(10-13-34)26-15-22(26)11-14-36-25-8-7-23(27(30)17-25)16-28(35)33(2)24-5-3-4-6-24;1-19-17-32-27(33-18-19)35-9-4-20(5-10-35)24-14-21(24)6-13-37-23-3-2-22(25(29)16-23)15-26(36)34-11-7-28(30,31)8-12-34;1-20-18-30-28(31-19-20)33-12-7-21(8-13-33)25-15-22(25)9-14-35-24-6-5-23(26(29)17-24)16-27(34)32-10-3-2-4-11-32;1-19-17-30-28(31-18-19)33-11-8-20(9-12-33)25-14-21(25)10-13-35-24-7-6-22(26(29)16-24)15-27(34)32-23-4-2-3-5-23;1-17-15-32-25(33-16-17)35-9-4-18(5-10-35)22-12-19(22)6-11-37-21-3-2-20(23(28)14-21)13-24(36)34-26(7-8-26)27(29,30)31;1-19-17-29-27(30-18-19)32-11-6-20(7-12-32)24-14-21(24)8-13-34-23-5-4-22(25(28)16-23)15-26(33)31-9-2-3-10-31/h7-8,17-19,21-22,24,26H,3-6,9-16H2,1-2H3;2-3,16-18,20-21,24H,4-15H2,1H3;5-6,17-19,21-22,25H,2-4,7-16H2,1H3;6-7,16-18,20-21,23,25H,2-5,8-15H2,1H3,(H,32,34);2-3,14-16,18-19,22H,4-13H2,1H3,(H,34,36);4-5,16-18,20-21,24H,2-3,6-15H2,1H3/t22-,26-;21-,24-;22-,25-;21-,25-;19-,22-;21-,24-/m111111/s1
InChIKeyJRKQVTFOZNTEHX-GVUZQPBESA-N
MW2959.69 g/mol
LogP29.29
Rot. Bonds51

About N-cyclopentyl-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide;N-cyclopentyl-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methylacetamide;1-(4,4-difluoropiperidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-piperidin-1-ylethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-pyrrolidin-1-ylethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-[1-(trifluoromethyl)cyclopropyl]acetamide

N-cyclopentyl-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide;N-cyclopentyl-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methylacetamide;1-(4,4-difluoropiperidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-piperidin-1-ylethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-pyrrolidin-1-ylethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-[1-(trifluoromethyl)cyclopropyl]acetamide (PubChem CID 159001786) has the molecular formula C167H215F11N24O12 and a molecular weight of 2959.69 g/mol. Its IUPAC name is N-cyclopentyl-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide;N-cyclopentyl-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methylacetamide;1-(4,4-difluoropiperidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-piperidin-1-ylethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-pyrrolidin-1-ylethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-[1-(trifluoromethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide;N-cyclopentyl-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methylacetamide;1-(4,4-difluoropiperidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-piperidin-1-ylethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-pyrrolidin-1-ylethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-[1-(trifluoromethyl)cyclopropyl]acetamide
PubChem CID159001786
Molecular FormulaC167H215F11N24O12
Molecular Weight2959.69 g/mol
Exact Mass2957.68
IUPAC NameN-cyclopentyl-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide;N-cyclopentyl-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methylacetamide;1-(4,4-difluoropiperidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-piperidin-1-ylethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-pyrrolidin-1-ylethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-[1-(trifluoromethyl)cyclopropyl]acetamide
SMILESCc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N(C)C4CCCC4)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCC(F)(F)CC4)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCCC4)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCCCC4)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)NC4(C(F)(F)F)CC4)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)NC4CCCC4)c(F)c3)CC2)nc1
InChIInChI=1S/C29H39FN4O2.C28H35F3N4O2.2C28H37FN4O2.C27H32F4N4O2.C27H35FN4O2/c1-20-18-31-29(32-19-20)34-12-9-21(10-13-34)26-15-22(26)11-14-36-25-8-7-23(27(30)17-25)16-28(35)33(2)24-5-3-4-6-24;1-19-17-32-27(33-18-19)35-9-4-20(5-10-35)24-14-21(24)6-13-37-23-3-2-22(25(29)16-23)15-26(36)34-11-7-28(30,31)8-12-34;1-20-18-30-28(31-19-20)33-12-7-21(8-13-33)25-15-22(25)9-14-35-24-6-5-23(26(29)17-24)16-27(34)32-10-3-2-4-11-32;1-19-17-30-28(31-18-19)33-11-8-20(9-12-33)25-14-21(25)10-13-35-24-7-6-22(26(29)16-24)15-27(34)32-23-4-2-3-5-23;1-17-15-32-25(33-16-17)35-9-4-18(5-10-35)22-12-19(22)6-11-37-21-3-2-20(23(28)14-21)13-24(36)34-26(7-8-26)27(29,30)31;1-19-17-29-27(30-18-19)32-11-6-20(7-12-32)24-14-21(24)8-13-34-23-5-4-22(25(28)16-23)15-26(33)31-9-2-3-10-31/h7-8,17-19,21-22,24,26H,3-6,9-16H2,1-2H3;2-3,16-18,20-21,24H,4-15H2,1H3;5-6,17-19,21-22,25H,2-4,7-16H2,1H3;6-7,16-18,20-21,23,25H,2-5,8-15H2,1H3,(H,32,34);2-3,14-16,18-19,22H,4-13H2,1H3,(H,34,36);4-5,16-18,20-21,24H,2-3,6-15H2,1H3/t22-,26-;21-,24-;22-,25-;21-,25-;19-,22-;21-,24-/m111111/s1
InChIKeyJRKQVTFOZNTEHX-GVUZQPBESA-N
XLogP29.29
TPSA368.94 Ų
H-Bond Donors2
H-Bond Acceptors30
Rotatable Bonds51
Heavy Atoms214
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002959.69
LogP ≤ 529.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1030

Analyze N-cyclopentyl-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide;N-cyclopentyl-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methylacetamide;1-(4,4-difluoropiperidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-piperidin-1-ylethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-pyrrolidin-1-ylethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-[1-(trifluoromethyl)cyclopropyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide;N-cyclopentyl-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methylacetamide;1-(4,4-difluoropiperidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-piperidin-1-ylethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-pyrrolidin-1-ylethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-[1-(trifluoromethyl)cyclopropyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide;N-cyclopentyl-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methylacetamide;1-(4,4-difluoropiperidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-piperidin-1-ylethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-pyrrolidin-1-ylethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-[1-(trifluoromethyl)cyclopropyl]acetamide (CID 159001786) is N-cyclopentyl-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide;N-cyclopentyl-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methylacetamide;1-(4,4-difluoropiperidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-piperidin-1-ylethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-pyrrolidin-1-ylethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-[1-(trifluoromethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide;N-cyclopentyl-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methylacetamide;1-(4,4-difluoropiperidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-piperidin-1-ylethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-pyrrolidin-1-ylethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-[1-(trifluoromethyl)cyclopropyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide;N-cyclopentyl-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methylacetamide;1-(4,4-difluoropiperidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-piperidin-1-ylethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-pyrrolidin-1-ylethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-[1-(trifluoromethyl)cyclopropyl]acetamide is Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N(C)C4CCCC4)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCC(F)(F)CC4)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCCC4)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCCCC4)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)NC4(C(F)(F)F)CC4)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)NC4CCCC4)c(F)c3)CC2)nc1.
What is the InChIKey of N-cyclopentyl-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide;N-cyclopentyl-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methylacetamide;1-(4,4-difluoropiperidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-piperidin-1-ylethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-pyrrolidin-1-ylethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-[1-(trifluoromethyl)cyclopropyl]acetamide?
The InChIKey is JRKQVTFOZNTEHX-GVUZQPBESA-N. The full InChI is InChI=1S/C29H39FN4O2.C28H35F3N4O2.2C28H37FN4O2.C27H32F4N4O2.C27H35FN4O2/c1-20-18-31-29(32-19-20)34-12-9-21(10-13-34)26-15-22(26)11-14-36-25-8-7-23(27(30)17-25)16-28(35)33(2)24-5-3-4-6-24;1-19-17-32-27(33-18-19)35-9-4-20(5-10-35)24-14-21(24)6-13-37-23-3-2-22(25(29)16-23)15-26(36)34-11-7-28(30,31)8-12-34;1-20-18-30-28(31-19-20)33-12-7-21(8-13-33)25-15-22(25)9-14-35-24-6-5-23(26(29)17-24)16-27(34)32-10-3-2-4-11-32;1-19-17-30-28(31-18-19)33-11-8-20(9-12-33)25-14-21(25)10-13-35-24-7-6-22(26(29)16-24)15-27(34)32-23-4-2-3-5-23;1-17-15-32-25(33-16-17)35-9-4-18(5-10-35)22-12-19(22)6-11-37-21-3-2-20(23(28)14-21)13-24(36)34-26(7-8-26)27(29,30)31;1-19-17-29-27(30-18-19)32-11-6-20(7-12-32)24-14-21(24)8-13-34-23-5-4-22(25(28)16-23)15-26(33)31-9-2-3-10-31/h7-8,17-19,21-22,24,26H,3-6,9-16H2,1-2H3;2-3,16-18,20-21,24H,4-15H2,1H3;5-6,17-19,21-22,25H,2-4,7-16H2,1H3;6-7,16-18,20-21,23,25H,2-5,8-15H2,1H3,(H,32,34);2-3,14-16,18-19,22H,4-13H2,1H3,(H,34,36);4-5,16-18,20-21,24H,2-3,6-15H2,1H3/t22-,26-;21-,24-;22-,25-;21-,25-;19-,22-;21-,24-/m111111/s1.
What are the key properties of N-cyclopentyl-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide;N-cyclopentyl-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methylacetamide;1-(4,4-difluoropiperidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-piperidin-1-ylethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-pyrrolidin-1-ylethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-[1-(trifluoromethyl)cyclopropyl]acetamide?
N-cyclopentyl-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide;N-cyclopentyl-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methylacetamide;1-(4,4-difluoropiperidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-piperidin-1-ylethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-pyrrolidin-1-ylethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-[1-(trifluoromethyl)cyclopropyl]acetamide has a molecular weight of 2959.69 g/mol, XLogP of 29.29, 51 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide;N-cyclopentyl-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-methylacetamide;1-(4,4-difluoropiperidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-piperidin-1-ylethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-pyrrolidin-1-ylethanone;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-[1-(trifluoromethyl)cyclopropyl]acetamide is sourced from PubChem (CID 159001786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).