N-(2,2-difluorocyclopropyl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide;1-(3,5-dimethylpiperidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2,5-dimethylpyrrolidin-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]-N-(1-methylcyclobutyl)acetamide;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(1-methylcyclohexyl)acetamide;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(1-methylcyclopropyl)acetamide

C170H224F8N24O12 — CID 158267818

IUPACN-(2,2-difluorocyclopropyl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide;1-(3,5-dimethylpiperidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2,5-dimethylpyrrolidin-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]-N-(1-methylcyclobutyl)acetamide;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(1-methylcyclohexyl)acetamide;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(1-methylcyclopropyl)acetamide
SMILESCc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4C(C)CCC4C)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CC(C)CC(C)C4)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)NC4(C)CC4)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)NC4(C)CCC4)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)NC4(C)CCCCC4)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)NC4CC4(F)F)c(F)c3)CC2)nc1
InChIInChI=1S/2C30H41FN4O2.C29H39FN4O2.C28H37FN4O2.C27H35FN4O2.C26H31F3N4O2/c1-20-12-21(2)19-35(18-20)29(36)14-25-4-5-26(15-28(25)31)37-11-8-24-13-27(24)23-6-9-34(10-7-23)30-32-16-22(3)17-33-30;1-21-19-32-29(33-20-21)35-13-8-22(9-14-35)26-16-23(26)10-15-37-25-7-6-24(27(31)18-25)17-28(36)34-30(2)11-4-3-5-12-30;1-19-17-31-29(32-18-19)33-11-8-22(9-12-33)26-14-23(26)10-13-36-25-7-6-24(27(30)16-25)15-28(35)34-20(2)4-5-21(34)3;1-19-17-30-27(31-18-19)33-11-6-20(7-12-33)24-14-21(24)8-13-35-23-5-4-22(25(29)16-23)15-26(34)32-28(2)9-3-10-28;1-18-16-29-26(30-17-18)32-10-5-19(6-11-32)23-13-20(23)7-12-34-22-4-3-21(24(28)15-22)14-25(33)31-27(2)8-9-27;1-16-14-30-25(31-15-16)33-7-4-17(5-8-33)21-10-18(21)6-9-35-20-3-2-19(22(27)12-20)11-24(34)32-23-13-26(23,28)29/h4-5,15-17,20-21,23-24,27H,6-14,18-19H2,1-3H3;6-7,18-20,22-23,26H,3-5,8-17H2,1-2H3,(H,34,36);6-7,16-18,20-23,26H,4-5,8-15H2,1-3H3;4-5,16-18,20-21,24H,3,6-15H2,1-2H3,(H,32,34);3-4,15-17,19-20,23H,5-14H2,1-2H3,(H,31,33);2-3,12,14-15,17-18,21,23H,4-11,13H2,1H3,(H,32,34)/t20?,21?,24-,27-;23-,26-;20?,21?,23-,26-;21-,24-;20-,23-;18-,21-,23?/m111111/s1
InChIKeyGIRBJDGESLFYDF-ITOMUBSCSA-N
MW2947.80 g/mol
LogP29.72
Rot. Bonds52

About N-(2,2-difluorocyclopropyl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide;1-(3,5-dimethylpiperidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2,5-dimethylpyrrolidin-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]-N-(1-methylcyclobutyl)acetamide;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(1-methylcyclohexyl)acetamide;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(1-methylcyclopropyl)acetamide

N-(2,2-difluorocyclopropyl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide;1-(3,5-dimethylpiperidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2,5-dimethylpyrrolidin-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]-N-(1-methylcyclobutyl)acetamide;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(1-methylcyclohexyl)acetamide;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(1-methylcyclopropyl)acetamide (PubChem CID 158267818) has the molecular formula C170H224F8N24O12 and a molecular weight of 2947.80 g/mol. Its IUPAC name is N-(2,2-difluorocyclopropyl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide;1-(3,5-dimethylpiperidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2,5-dimethylpyrrolidin-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]-N-(1-methylcyclobutyl)acetamide;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(1-methylcyclohexyl)acetamide;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(1-methylcyclopropyl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluorocyclopropyl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide;1-(3,5-dimethylpiperidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2,5-dimethylpyrrolidin-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]-N-(1-methylcyclobutyl)acetamide;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(1-methylcyclohexyl)acetamide;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(1-methylcyclopropyl)acetamide
PubChem CID158267818
Molecular FormulaC170H224F8N24O12
Molecular Weight2947.80 g/mol
Exact Mass2945.75
IUPAC NameN-(2,2-difluorocyclopropyl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide;1-(3,5-dimethylpiperidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2,5-dimethylpyrrolidin-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]-N-(1-methylcyclobutyl)acetamide;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(1-methylcyclohexyl)acetamide;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(1-methylcyclopropyl)acetamide
SMILESCc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4C(C)CCC4C)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CC(C)CC(C)C4)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)NC4(C)CC4)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)NC4(C)CCC4)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)NC4(C)CCCCC4)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)NC4CC4(F)F)c(F)c3)CC2)nc1
InChIInChI=1S/2C30H41FN4O2.C29H39FN4O2.C28H37FN4O2.C27H35FN4O2.C26H31F3N4O2/c1-20-12-21(2)19-35(18-20)29(36)14-25-4-5-26(15-28(25)31)37-11-8-24-13-27(24)23-6-9-34(10-7-23)30-32-16-22(3)17-33-30;1-21-19-32-29(33-20-21)35-13-8-22(9-14-35)26-16-23(26)10-15-37-25-7-6-24(27(31)18-25)17-28(36)34-30(2)11-4-3-5-12-30;1-19-17-31-29(32-18-19)33-11-8-22(9-12-33)26-14-23(26)10-13-36-25-7-6-24(27(30)16-25)15-28(35)34-20(2)4-5-21(34)3;1-19-17-30-27(31-18-19)33-11-6-20(7-12-33)24-14-21(24)8-13-35-23-5-4-22(25(29)16-23)15-26(34)32-28(2)9-3-10-28;1-18-16-29-26(30-17-18)32-10-5-19(6-11-32)23-13-20(23)7-12-34-22-4-3-21(24(28)15-22)14-25(33)31-27(2)8-9-27;1-16-14-30-25(31-15-16)33-7-4-17(5-8-33)21-10-18(21)6-9-35-20-3-2-19(22(27)12-20)11-24(34)32-23-13-26(23,28)29/h4-5,15-17,20-21,23-24,27H,6-14,18-19H2,1-3H3;6-7,18-20,22-23,26H,3-5,8-17H2,1-2H3,(H,34,36);6-7,16-18,20-23,26H,4-5,8-15H2,1-3H3;4-5,16-18,20-21,24H,3,6-15H2,1-2H3,(H,32,34);3-4,15-17,19-20,23H,5-14H2,1-2H3,(H,31,33);2-3,12,14-15,17-18,21,23H,4-11,13H2,1H3,(H,32,34)/t20?,21?,24-,27-;23-,26-;20?,21?,23-,26-;21-,24-;20-,23-;18-,21-,23?/m111111/s1
InChIKeyGIRBJDGESLFYDF-ITOMUBSCSA-N
XLogP29.72
TPSA386.52 Ų
H-Bond Donors4
H-Bond Acceptors30
Rotatable Bonds52
Heavy Atoms214
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002947.80
LogP ≤ 529.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1030

Analyze N-(2,2-difluorocyclopropyl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide;1-(3,5-dimethylpiperidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2,5-dimethylpyrrolidin-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]-N-(1-methylcyclobutyl)acetamide;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(1-methylcyclohexyl)acetamide;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(1-methylcyclopropyl)acetamide with MolForge

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Launch Full Analysis

Related Compounds

1-(3-Azabicyclo[3.1.0]hexan-3-yl)-2-[2-fluoro-4-[2-[2-[1-[5-(methoxymethyl)pyrimidin-2-yl]piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone
CID 78116890
1-(3-azabicyclo[3.1.0]hexan-3-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-[5-(methoxymethyl)pyrimidin-2-yl]piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone
CID 89584120
N-(cyclopropylmethyl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide
CID 117684514
2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 117684515
2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-[(1-methylcyclobutyl)methyl]acetamide
CID 117684524
2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 117684528
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 117684531
N-cyclopentyl-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide
CID 117684532
2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(1-methylcyclopropyl)acetamide
CID 117684533
N-(2,2-difluorocyclopropyl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide
CID 117684534
2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(1-methylcyclohexyl)acetamide
CID 117684551
N-(3,3-difluorocyclopentyl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide
CID 117684554

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluorocyclopropyl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide;1-(3,5-dimethylpiperidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2,5-dimethylpyrrolidin-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]-N-(1-methylcyclobutyl)acetamide;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(1-methylcyclohexyl)acetamide;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(1-methylcyclopropyl)acetamide?
The IUPAC name of N-(2,2-difluorocyclopropyl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide;1-(3,5-dimethylpiperidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2,5-dimethylpyrrolidin-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]-N-(1-methylcyclobutyl)acetamide;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(1-methylcyclohexyl)acetamide;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(1-methylcyclopropyl)acetamide (CID 158267818) is N-(2,2-difluorocyclopropyl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide;1-(3,5-dimethylpiperidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2,5-dimethylpyrrolidin-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]-N-(1-methylcyclobutyl)acetamide;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(1-methylcyclohexyl)acetamide;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(1-methylcyclopropyl)acetamide.
What is the SMILES notation for N-(2,2-difluorocyclopropyl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide;1-(3,5-dimethylpiperidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2,5-dimethylpyrrolidin-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]-N-(1-methylcyclobutyl)acetamide;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(1-methylcyclohexyl)acetamide;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(1-methylcyclopropyl)acetamide?
The canonical SMILES for N-(2,2-difluorocyclopropyl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide;1-(3,5-dimethylpiperidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2,5-dimethylpyrrolidin-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]-N-(1-methylcyclobutyl)acetamide;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(1-methylcyclohexyl)acetamide;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(1-methylcyclopropyl)acetamide is Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4C(C)CCC4C)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CC(C)CC(C)C4)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)NC4(C)CC4)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)NC4(C)CCC4)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)NC4(C)CCCCC4)c(F)c3)CC2)nc1.Cc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)NC4CC4(F)F)c(F)c3)CC2)nc1.
What is the InChIKey of N-(2,2-difluorocyclopropyl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide;1-(3,5-dimethylpiperidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2,5-dimethylpyrrolidin-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]-N-(1-methylcyclobutyl)acetamide;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(1-methylcyclohexyl)acetamide;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(1-methylcyclopropyl)acetamide?
The InChIKey is GIRBJDGESLFYDF-ITOMUBSCSA-N. The full InChI is InChI=1S/2C30H41FN4O2.C29H39FN4O2.C28H37FN4O2.C27H35FN4O2.C26H31F3N4O2/c1-20-12-21(2)19-35(18-20)29(36)14-25-4-5-26(15-28(25)31)37-11-8-24-13-27(24)23-6-9-34(10-7-23)30-32-16-22(3)17-33-30;1-21-19-32-29(33-20-21)35-13-8-22(9-14-35)26-16-23(26)10-15-37-25-7-6-24(27(31)18-25)17-28(36)34-30(2)11-4-3-5-12-30;1-19-17-31-29(32-18-19)33-11-8-22(9-12-33)26-14-23(26)10-13-36-25-7-6-24(27(30)16-25)15-28(35)34-20(2)4-5-21(34)3;1-19-17-30-27(31-18-19)33-11-6-20(7-12-33)24-14-21(24)8-13-35-23-5-4-22(25(29)16-23)15-26(34)32-28(2)9-3-10-28;1-18-16-29-26(30-17-18)32-10-5-19(6-11-32)23-13-20(23)7-12-34-22-4-3-21(24(28)15-22)14-25(33)31-27(2)8-9-27;1-16-14-30-25(31-15-16)33-7-4-17(5-8-33)21-10-18(21)6-9-35-20-3-2-19(22(27)12-20)11-24(34)32-23-13-26(23,28)29/h4-5,15-17,20-21,23-24,27H,6-14,18-19H2,1-3H3;6-7,18-20,22-23,26H,3-5,8-17H2,1-2H3,(H,34,36);6-7,16-18,20-23,26H,4-5,8-15H2,1-3H3;4-5,16-18,20-21,24H,3,6-15H2,1-2H3,(H,32,34);3-4,15-17,19-20,23H,5-14H2,1-2H3,(H,31,33);2-3,12,14-15,17-18,21,23H,4-11,13H2,1H3,(H,32,34)/t20?,21?,24-,27-;23-,26-;20?,21?,23-,26-;21-,24-;20-,23-;18-,21-,23?/m111111/s1.
What are the key properties of N-(2,2-difluorocyclopropyl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide;1-(3,5-dimethylpiperidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2,5-dimethylpyrrolidin-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]-N-(1-methylcyclobutyl)acetamide;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(1-methylcyclohexyl)acetamide;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(1-methylcyclopropyl)acetamide?
N-(2,2-difluorocyclopropyl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide;1-(3,5-dimethylpiperidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2,5-dimethylpyrrolidin-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]-N-(1-methylcyclobutyl)acetamide;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(1-methylcyclohexyl)acetamide;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(1-methylcyclopropyl)acetamide has a molecular weight of 2947.80 g/mol, XLogP of 29.72, 52 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluorocyclopropyl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide;1-(3,5-dimethylpiperidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone;1-(2,5-dimethylpyrrolidin-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]-N-(1-methylcyclobutyl)acetamide;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(1-methylcyclohexyl)acetamide;2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(1-methylcyclopropyl)acetamide is sourced from PubChem (CID 158267818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).