(2S)-2-amino-2-cyclohexyl-1-[(2S)-2-[4-(4-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone;tert-butyl N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;(2S)-2-cyclohexylpropanoic acid;4-fluorophenol;4-(4-fluorophenoxy)-2-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine;4-(4-fluorophenoxy)-2-[(2S)-pyrrolidin-2-yl]pyridine

C105H125F5N10O12 — CID 161058943

IUPAC(2S)-2-amino-2-cyclohexyl-1-[(2S)-2-[4-(4-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone;tert-butyl N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;(2S)-2-cyclohexylpropanoic acid;4-fluorophenol;4-(4-fluorophenoxy)-2-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine;4-(4-fluorophenoxy)-2-[(2S)-pyrrolidin-2-yl]pyridine
SMILESCC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H]1c1cc(Oc2ccc(F)cc2)ccn1)C1CCCCC1.COc1ccc([C@@H](C)N2CCC[C@H]2c2cc(Oc3ccc(F)cc3)ccn2)cc1.C[C@H](C(=O)O)C1CCCCC1.Fc1ccc(Oc2ccnc([C@@H]3CCCN3)c2)cc1.N[C@H](C(=O)N1CCC[C@H]1c1cc(Oc2ccc(F)cc2)ccn1)C1CCCCC1.Oc1ccc(F)cc1
InChIInChI=1S/C28H36FN3O4.C24H25FN2O2.C23H28FN3O2.C15H15FN2O.C9H16O2.C6H5FO/c1-28(2,3)36-27(34)31-25(19-8-5-4-6-9-19)26(33)32-17-7-10-24(32)23-18-22(15-16-30-23)35-21-13-11-20(29)12-14-21;1-17(18-5-9-20(28-2)10-6-18)27-15-3-4-24(27)23-16-22(13-14-26-23)29-21-11-7-19(25)8-12-21;24-17-8-10-18(11-9-17)29-19-12-13-26-20(15-19)21-7-4-14-27(21)23(28)22(25)16-5-2-1-3-6-16;16-11-3-5-12(6-4-11)19-13-7-9-18-15(10-13)14-2-1-8-17-14;1-7(9(10)11)8-5-3-2-4-6-8;7-5-1-3-6(8)4-2-5/h11-16,18-19,24-25H,4-10,17H2,1-3H3,(H,31,34);5-14,16-17,24H,3-4,15H2,1-2H3;8-13,15-16,21-22H,1-7,14,25H2;3-7,9-10,14,17H,1-2,8H2;7-8H,2-6H2,1H3,(H,10,11);1-4,8H/t24-,25-;17-,24+;21-,22-;14-;7-;/m01000./s1
InChIKeyUDDDAXACWXJVMC-FTDRGBIHSA-N
MW1814.20 g/mol
LogP23.91
Rot. Bonds22

About (2S)-2-amino-2-cyclohexyl-1-[(2S)-2-[4-(4-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone;tert-butyl N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;(2S)-2-cyclohexylpropanoic acid;4-fluorophenol;4-(4-fluorophenoxy)-2-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine;4-(4-fluorophenoxy)-2-[(2S)-pyrrolidin-2-yl]pyridine

(2S)-2-amino-2-cyclohexyl-1-[(2S)-2-[4-(4-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone;tert-butyl N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;(2S)-2-cyclohexylpropanoic acid;4-fluorophenol;4-(4-fluorophenoxy)-2-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine;4-(4-fluorophenoxy)-2-[(2S)-pyrrolidin-2-yl]pyridine (PubChem CID 161058943) has the molecular formula C105H125F5N10O12 and a molecular weight of 1814.20 g/mol. Its IUPAC name is (2S)-2-amino-2-cyclohexyl-1-[(2S)-2-[4-(4-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone;tert-butyl N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;(2S)-2-cyclohexylpropanoic acid;4-fluorophenol;4-(4-fluorophenoxy)-2-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine;4-(4-fluorophenoxy)-2-[(2S)-pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name(2S)-2-amino-2-cyclohexyl-1-[(2S)-2-[4-(4-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone;tert-butyl N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;(2S)-2-cyclohexylpropanoic acid;4-fluorophenol;4-(4-fluorophenoxy)-2-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine;4-(4-fluorophenoxy)-2-[(2S)-pyrrolidin-2-yl]pyridine
PubChem CID161058943
Molecular FormulaC105H125F5N10O12
Molecular Weight1814.20 g/mol
Exact Mass1812.94
IUPAC Name(2S)-2-amino-2-cyclohexyl-1-[(2S)-2-[4-(4-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone;tert-butyl N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;(2S)-2-cyclohexylpropanoic acid;4-fluorophenol;4-(4-fluorophenoxy)-2-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine;4-(4-fluorophenoxy)-2-[(2S)-pyrrolidin-2-yl]pyridine
SMILESCC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H]1c1cc(Oc2ccc(F)cc2)ccn1)C1CCCCC1.COc1ccc([C@@H](C)N2CCC[C@H]2c2cc(Oc3ccc(F)cc3)ccn2)cc1.C[C@H](C(=O)O)C1CCCCC1.Fc1ccc(Oc2ccnc([C@@H]3CCCN3)c2)cc1.N[C@H](C(=O)N1CCC[C@H]1c1cc(Oc2ccc(F)cc2)ccn1)C1CCCCC1.Oc1ccc(F)cc1
InChIInChI=1S/C28H36FN3O4.C24H25FN2O2.C23H28FN3O2.C15H15FN2O.C9H16O2.C6H5FO/c1-28(2,3)36-27(34)31-25(19-8-5-4-6-9-19)26(33)32-17-7-10-24(32)23-18-22(15-16-30-23)35-21-13-11-20(29)12-14-21;1-17(18-5-9-20(28-2)10-6-18)27-15-3-4-24(27)23-16-22(13-14-26-23)29-21-11-7-19(25)8-12-21;24-17-8-10-18(11-9-17)29-19-12-13-26-20(15-19)21-7-4-14-27(21)23(28)22(25)16-5-2-1-3-6-16;16-11-3-5-12(6-4-11)19-13-7-9-18-15(10-13)14-2-1-8-17-14;1-7(9(10)11)8-5-3-2-4-6-8;7-5-1-3-6(8)4-2-5/h11-16,18-19,24-25H,4-10,17H2,1-3H3,(H,31,34);5-14,16-17,24H,3-4,15H2,1-2H3;8-13,15-16,21-22H,1-7,14,25H2;3-7,9-10,14,17H,1-2,8H2;7-8H,2-6H2,1H3,(H,10,11);1-4,8H/t24-,25-;17-,24+;21-,22-;14-;7-;/m01000./s1
InChIKeyUDDDAXACWXJVMC-FTDRGBIHSA-N
XLogP23.91
TPSA275.48 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds22
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001814.20
LogP ≤ 523.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze (2S)-2-amino-2-cyclohexyl-1-[(2S)-2-[4-(4-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone;tert-butyl N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;(2S)-2-cyclohexylpropanoic acid;4-fluorophenol;4-(4-fluorophenoxy)-2-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine;4-(4-fluorophenoxy)-2-[(2S)-pyrrolidin-2-yl]pyridine with MolForge

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Related Compounds

tert-butyl N-[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-[[2-[[2-[[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-[[2-[[4-[[2-[5-[2-[(Z)-(1-difluoroboranyl-4-iodo-3,5-dimethylpyrrol-2-yl)-(4-iodo-3,5-dimethylpyrrol-2-ylidene)methyl]phenoxy]pentanoylamino]acetyl]amino]cyclohexyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]carbamate
CID 139212377
tert-butyl (3S,4R)-3-phenyl-4-[[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]carbamoyl]pyrrolidine-1-carboxylate;methane;(3R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-3-carboxylic acid;(3R,4S)-4-phenyl-N-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidine-3-carboxamide;3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]aniline
CID 157940450
3-[[4-[4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-(6-phenylmethoxy-3-pyridinyl)imidazolidine-2,4-dione
CID 158120832
tert-butyl (3R,4S)-3-phenyl-4-[[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]carbamoyl]pyrrolidine-1-carboxylate;(3S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-3-carboxylic acid;(3S,4R)-4-phenyl-N-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidine-3-carboxamide;3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]aniline
CID 159680501
1-[(2S,5R)-5-[6-[(2-fluorophenyl)methoxy]-3-pyridinyl]pyrrolidin-2-yl]ethanone;1-[5-[6-[(2-fluorophenyl)methoxy]-3-pyridinyl]pyrrolidin-2-yl]ethanone;1-[(2S,5R)-5-[4-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]phenyl]pyrrolidin-2-yl]ethanone;1-[5-[4-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]phenyl]pyrrolidin-2-yl]ethanone;1-[(2S,5R)-5-[6-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-3-pyridinyl]pyrrolidin-2-yl]ethanone;1-[5-[6-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-3-pyridinyl]pyrrolidin-2-yl]ethanone
CID 160141790
tert-butyl N-[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-[[2-[[2-[[(2S)-3-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-1-[[2-[[4-[[2-[5-[2-[(Z)-(1-difluoroboranyl-4-iodo-3,5-dimethylpyrrol-2-yl)-(4-iodo-3,5-dimethylpyrrol-2-ylidene)methyl]phenoxy]pentanoylamino]acetyl]amino]cyclohexyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]carbamate;tetrakis(nickel(2+))
CID 139249457
tert-butyl (3R,4S)-3-phenyl-4-[(3-pyridin-2-yloxyphenyl)carbamoyl]pyrrolidine-1-carboxylate;(3S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-3-carboxylic acid;(3S,4R)-4-phenyl-N-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide;3-pyridin-2-yloxyaniline
CID 157097500
tert-butyl (3R)-3-[4-[4-(2,6-difluorophenoxy)phenyl]-3-ethoxycarbonyl-2-ethylpyrrol-1-yl]piperidine-1-carboxylate;4-[4-(2,6-difluorophenoxy)phenyl]-2-ethyl-1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]pyrrole-3-carboxylic acid;4-[4-(2,6-difluorophenoxy)phenyl]-2-ethyl-1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyrrole-3-carboxylic acid
CID 157147906
1-[2-fluoro-4-[[2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]-3-(3-methylphenyl)propan-2-one;5-[4-[3-fluoro-4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(4-oxopentyl)-1H-pyrrole-3-carboxamide;5-[4-[3-fluoro-4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;1-[2-fluoro-4-[[2-[4-(3-methylpiperidine-1-carbonyl)-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]-3-(3-methylphenyl)propan-2-one
CID 157185294
tert-butyl (3R,4S)-3-phenyl-4-[(3-pyridin-3-yloxyphenyl)carbamoyl]pyrrolidine-1-carboxylate;methane;(3S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-3-carboxylic acid;(3S,4R)-4-phenyl-N-(3-pyridin-3-yloxyphenyl)pyrrolidine-3-carboxamide;3-pyridin-3-yloxyaniline
CID 157195807
N-[3,3-bis(4-fluorophenyl)propyl]-6-fluoropyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-morpholin-4-ylacetamide;N-[3-(4-fluorophenyl)-3-hydroxypropyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide;N-[3-(4-fluorophenyl)-3-pyridin-4-ylpropyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide;N-(2-phenoxyethyl)-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide;N-(3-phenylpropyl)-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 157598233
(2S)-2-amino-2-cyclohexyl-1-[(2S)-2-[4-(4-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone;tert-butyl N-[(2S)-1-[[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2R)-2-methylbutanoic acid
CID 157621138

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-cyclohexyl-1-[(2S)-2-[4-(4-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone;tert-butyl N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;(2S)-2-cyclohexylpropanoic acid;4-fluorophenol;4-(4-fluorophenoxy)-2-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine;4-(4-fluorophenoxy)-2-[(2S)-pyrrolidin-2-yl]pyridine?
The IUPAC name of (2S)-2-amino-2-cyclohexyl-1-[(2S)-2-[4-(4-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone;tert-butyl N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;(2S)-2-cyclohexylpropanoic acid;4-fluorophenol;4-(4-fluorophenoxy)-2-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine;4-(4-fluorophenoxy)-2-[(2S)-pyrrolidin-2-yl]pyridine (CID 161058943) is (2S)-2-amino-2-cyclohexyl-1-[(2S)-2-[4-(4-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone;tert-butyl N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;(2S)-2-cyclohexylpropanoic acid;4-fluorophenol;4-(4-fluorophenoxy)-2-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine;4-(4-fluorophenoxy)-2-[(2S)-pyrrolidin-2-yl]pyridine.
What is the SMILES notation for (2S)-2-amino-2-cyclohexyl-1-[(2S)-2-[4-(4-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone;tert-butyl N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;(2S)-2-cyclohexylpropanoic acid;4-fluorophenol;4-(4-fluorophenoxy)-2-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine;4-(4-fluorophenoxy)-2-[(2S)-pyrrolidin-2-yl]pyridine?
The canonical SMILES for (2S)-2-amino-2-cyclohexyl-1-[(2S)-2-[4-(4-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone;tert-butyl N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;(2S)-2-cyclohexylpropanoic acid;4-fluorophenol;4-(4-fluorophenoxy)-2-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine;4-(4-fluorophenoxy)-2-[(2S)-pyrrolidin-2-yl]pyridine is CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H]1c1cc(Oc2ccc(F)cc2)ccn1)C1CCCCC1.COc1ccc([C@@H](C)N2CCC[C@H]2c2cc(Oc3ccc(F)cc3)ccn2)cc1.C[C@H](C(=O)O)C1CCCCC1.Fc1ccc(Oc2ccnc([C@@H]3CCCN3)c2)cc1.N[C@H](C(=O)N1CCC[C@H]1c1cc(Oc2ccc(F)cc2)ccn1)C1CCCCC1.Oc1ccc(F)cc1.
What is the InChIKey of (2S)-2-amino-2-cyclohexyl-1-[(2S)-2-[4-(4-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone;tert-butyl N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;(2S)-2-cyclohexylpropanoic acid;4-fluorophenol;4-(4-fluorophenoxy)-2-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine;4-(4-fluorophenoxy)-2-[(2S)-pyrrolidin-2-yl]pyridine?
The InChIKey is UDDDAXACWXJVMC-FTDRGBIHSA-N. The full InChI is InChI=1S/C28H36FN3O4.C24H25FN2O2.C23H28FN3O2.C15H15FN2O.C9H16O2.C6H5FO/c1-28(2,3)36-27(34)31-25(19-8-5-4-6-9-19)26(33)32-17-7-10-24(32)23-18-22(15-16-30-23)35-21-13-11-20(29)12-14-21;1-17(18-5-9-20(28-2)10-6-18)27-15-3-4-24(27)23-16-22(13-14-26-23)29-21-11-7-19(25)8-12-21;24-17-8-10-18(11-9-17)29-19-12-13-26-20(15-19)21-7-4-14-27(21)23(28)22(25)16-5-2-1-3-6-16;16-11-3-5-12(6-4-11)19-13-7-9-18-15(10-13)14-2-1-8-17-14;1-7(9(10)11)8-5-3-2-4-6-8;7-5-1-3-6(8)4-2-5/h11-16,18-19,24-25H,4-10,17H2,1-3H3,(H,31,34);5-14,16-17,24H,3-4,15H2,1-2H3;8-13,15-16,21-22H,1-7,14,25H2;3-7,9-10,14,17H,1-2,8H2;7-8H,2-6H2,1H3,(H,10,11);1-4,8H/t24-,25-;17-,24+;21-,22-;14-;7-;/m01000./s1.
What are the key properties of (2S)-2-amino-2-cyclohexyl-1-[(2S)-2-[4-(4-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone;tert-butyl N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;(2S)-2-cyclohexylpropanoic acid;4-fluorophenol;4-(4-fluorophenoxy)-2-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine;4-(4-fluorophenoxy)-2-[(2S)-pyrrolidin-2-yl]pyridine?
(2S)-2-amino-2-cyclohexyl-1-[(2S)-2-[4-(4-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone;tert-butyl N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;(2S)-2-cyclohexylpropanoic acid;4-fluorophenol;4-(4-fluorophenoxy)-2-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine;4-(4-fluorophenoxy)-2-[(2S)-pyrrolidin-2-yl]pyridine has a molecular weight of 1814.20 g/mol, XLogP of 23.91, 22 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-cyclohexyl-1-[(2S)-2-[4-(4-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone;tert-butyl N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;(2S)-2-cyclohexylpropanoic acid;4-fluorophenol;4-(4-fluorophenoxy)-2-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine;4-(4-fluorophenoxy)-2-[(2S)-pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 161058943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).