(5-chloro-2-pyrimidin-2-ylphenyl)-[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methanone;[5-chloro-2-(triazol-1-yl)phenyl]-[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methanone;[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone;[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone

C98H94Cl2F5N13O8 — CID 159817085

IUPAC(5-chloro-2-pyrimidin-2-ylphenyl)-[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methanone;[5-chloro-2-(triazol-1-yl)phenyl]-[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methanone;[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone;[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone
SMILESCc1ccc(-n2cccn2)c(C(=O)N2C3CCC2[C@@H](COc2ccc(F)cc2)CC3)c1.O=C(c1cc(Cl)ccc1-c1ncccn1)N1C2CCC1[C@@H](COc1ccc(F)cc1)CC2.O=C(c1cc(Cl)ccc1-n1ccnn1)N1C2CCC1[C@@H](COc1ccc(F)cc1)CC2.O=C(c1cc(F)ccc1-c1ncccn1)N1C2CCC1[C@@H](COc1ccc(F)cc1)CC2
InChIInChI=1S/C25H23ClFN3O2.C25H23F2N3O2.C25H26FN3O2.C23H22ClFN4O2/c26-17-3-10-21(24-28-12-1-13-29-24)22(14-17)25(31)30-19-6-2-16(23(30)11-7-19)15-32-20-8-4-18(27)5-9-20;26-17-3-8-20(9-4-17)32-15-16-2-6-19-7-11-23(16)30(19)25(31)22-14-18(27)5-10-21(22)24-28-12-1-13-29-24;1-17-3-11-24(28-14-2-13-27-28)22(15-17)25(30)29-20-7-4-18(23(29)12-8-20)16-31-21-9-5-19(26)6-10-21;24-16-2-9-22(28-12-11-26-27-28)20(13-16)23(30)29-18-5-1-15(21(29)10-6-18)14-31-19-7-3-17(25)4-8-19/h2*1,3-5,8-10,12-14,16,19,23H,2,6-7,11,15H2;2-3,5-6,9-11,13-15,18,20,23H,4,7-8,12,16H2,1H3;2-4,7-9,11-13,15,18,21H,1,5-6,10,14H2/t2*16-,19?,23?;18-,20?,23?;15-,18?,21?/m1111/s1
InChIKeyNLTBELUAJWZZDX-BHTGEQTHSA-N
MW1747.81 g/mol
LogP19.59
Rot. Bonds20

About (5-chloro-2-pyrimidin-2-ylphenyl)-[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methanone;[5-chloro-2-(triazol-1-yl)phenyl]-[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methanone;[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone;[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone

(5-chloro-2-pyrimidin-2-ylphenyl)-[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methanone;[5-chloro-2-(triazol-1-yl)phenyl]-[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methanone;[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone;[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone (PubChem CID 159817085) has the molecular formula C98H94Cl2F5N13O8 and a molecular weight of 1747.81 g/mol. Its IUPAC name is (5-chloro-2-pyrimidin-2-ylphenyl)-[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methanone;[5-chloro-2-(triazol-1-yl)phenyl]-[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methanone;[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone;[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name(5-chloro-2-pyrimidin-2-ylphenyl)-[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methanone;[5-chloro-2-(triazol-1-yl)phenyl]-[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methanone;[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone;[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone
PubChem CID159817085
Molecular FormulaC98H94Cl2F5N13O8
Molecular Weight1747.81 g/mol
Exact Mass1745.66
IUPAC Name(5-chloro-2-pyrimidin-2-ylphenyl)-[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methanone;[5-chloro-2-(triazol-1-yl)phenyl]-[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methanone;[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone;[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone
SMILESCc1ccc(-n2cccn2)c(C(=O)N2C3CCC2[C@@H](COc2ccc(F)cc2)CC3)c1.O=C(c1cc(Cl)ccc1-c1ncccn1)N1C2CCC1[C@@H](COc1ccc(F)cc1)CC2.O=C(c1cc(Cl)ccc1-n1ccnn1)N1C2CCC1[C@@H](COc1ccc(F)cc1)CC2.O=C(c1cc(F)ccc1-c1ncccn1)N1C2CCC1[C@@H](COc1ccc(F)cc1)CC2
InChIInChI=1S/C25H23ClFN3O2.C25H23F2N3O2.C25H26FN3O2.C23H22ClFN4O2/c26-17-3-10-21(24-28-12-1-13-29-24)22(14-17)25(31)30-19-6-2-16(23(30)11-7-19)15-32-20-8-4-18(27)5-9-20;26-17-3-8-20(9-4-17)32-15-16-2-6-19-7-11-23(16)30(19)25(31)22-14-18(27)5-10-21(22)24-28-12-1-13-29-24;1-17-3-11-24(28-14-2-13-27-28)22(15-17)25(30)29-20-7-4-18(23(29)12-8-20)16-31-21-9-5-19(26)6-10-21;24-16-2-9-22(28-12-11-26-27-28)20(13-16)23(30)29-18-5-1-15(21(29)10-6-18)14-31-19-7-3-17(25)4-8-19/h2*1,3-5,8-10,12-14,16,19,23H,2,6-7,11,15H2;2-3,5-6,9-11,13-15,18,20,23H,4,7-8,12,16H2,1H3;2-4,7-9,11-13,15,18,21H,1,5-6,10,14H2/t2*16-,19?,23?;18-,20?,23?;15-,18?,21?/m1111/s1
InChIKeyNLTBELUAJWZZDX-BHTGEQTHSA-N
XLogP19.59
TPSA218.25 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds20
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001747.81
LogP ≤ 519.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze (5-chloro-2-pyrimidin-2-ylphenyl)-[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methanone;[5-chloro-2-(triazol-1-yl)phenyl]-[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methanone;[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone;[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-[[5-(1,1-difluoroethoxy)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3,5-difluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[[5-(1,1-difluoroethoxy)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-fluoro-3-methyl-6-(triazol-2-yl)benzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-4-methoxy-2-(triazol-2-yl)benzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-(1-methylpyrazol-4-yl)benzamide;N-ethyl-4-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide
CID 157137243
N-[(2S)-1-[[3-chloro-5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-fluoro-6-pyrimidin-2-ylbenzamide;N-ethyl-3-fluoro-N-[(2S)-1-[(3-fluoro-5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)benzamide;bis(N-ethyl-3-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)benzamide);N-ethyl-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide
CID 157499815
(2-Fluoro-6-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(5-fluoro-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158546925
6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine;N-[3-(1,1-difluoroethyl)phenyl]-3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-methylbenzamide;2-[3-(1,1-difluoroethyl)phenyl]-1-[3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]ethanone;N-[3-(1,1-difluoroethyl)phenyl]-3-methoxy-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;3-methoxy-N-methyl-N-(3-methylphenyl)-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide
CID 158885142
2-Chloro-1-(1-fluoroethoxy)-4-propan-2-ylbenzene;2-chloro-1-methoxy-4-propan-2-ylbenzene;4-chloro-1-methoxy-2-propan-2-ylbenzene;3-chloro-2-methoxy-5-propan-2-yl-6-(triazol-2-yl)pyridine;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-1-yl)pyridine;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-2-yl)pyridine;5-chloro-7-propan-2-yl-1,3-dihydroindol-2-one;1-(2-chloro-4-propan-2-ylphenyl)imidazole;bis(1-(2-chloro-4-propan-2-ylphenyl)pyrazole);2-(2-chloro-4-propan-2-ylphenyl)triazole;2-(4-chloro-2-propan-2-ylphenyl)triazole;2-ethoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;2-(2-fluoro-4-propan-2-ylphenyl)triazole;methane;2-methoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 159055035
[2-(5-Fluoropyrimidin-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-fluoro-6-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-methyl-2-pyridin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 159639644
4-chloro-N-[(2S)-1-[5-(1,1-difluoroethyl)pyrazin-2-yl]oxypropan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrazin-2-yl]oxypropan-2-yl]-N-ethyl-4-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrazin-2-yl]oxypropan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrazin-2-yl]oxypropan-2-yl]-N-ethyl-4-methoxy-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrazin-2-yl]oxypropan-2-yl]-N-ethyl-2-(triazol-2-yl)-4-(trifluoromethyl)benzamide
CID 159949948
3-chloro-N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3,4-difluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-fluoro-3-methyl-6-(triazol-2-yl)benzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-(1-methyl-2-oxo-4-pyridinyl)benzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-(6-methylpyridazin-4-yl)benzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-(2-methylpyrimidin-5-yl)benzamide
CID 160046464
6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine;N-[3-(1,1-difluoroethyl)phenyl]-3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-methylbenzamide;2-[3-(1,1-difluoroethyl)phenyl]-1-[3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]ethanone;N-[3-(1,1-difluoroethyl)phenyl]-3-methoxy-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine
CID 161593073
[6-[(5-Chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(5-fluoropyrimidin-2-yl)phenyl]methanone;[6-[(5-fluoro-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-fluoro-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 157910569
[(2S,5R)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone;[(2S,5R)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone;[(2S,5R)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone;[(2S,5R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-methyl-2-pyridin-2-ylphenyl)methanone
CID 157955694
[6-[(5-Chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(4-fluoro-2-pyrimidin-2-ylphenyl)methanone;[6-[(5-chloro-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone
CID 158118635

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-pyrimidin-2-ylphenyl)-[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methanone;[5-chloro-2-(triazol-1-yl)phenyl]-[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methanone;[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone;[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone?
The IUPAC name of (5-chloro-2-pyrimidin-2-ylphenyl)-[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methanone;[5-chloro-2-(triazol-1-yl)phenyl]-[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methanone;[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone;[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone (CID 159817085) is (5-chloro-2-pyrimidin-2-ylphenyl)-[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methanone;[5-chloro-2-(triazol-1-yl)phenyl]-[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methanone;[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone;[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone.
What is the SMILES notation for (5-chloro-2-pyrimidin-2-ylphenyl)-[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methanone;[5-chloro-2-(triazol-1-yl)phenyl]-[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methanone;[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone;[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone?
The canonical SMILES for (5-chloro-2-pyrimidin-2-ylphenyl)-[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methanone;[5-chloro-2-(triazol-1-yl)phenyl]-[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methanone;[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone;[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone is Cc1ccc(-n2cccn2)c(C(=O)N2C3CCC2[C@@H](COc2ccc(F)cc2)CC3)c1.O=C(c1cc(Cl)ccc1-c1ncccn1)N1C2CCC1[C@@H](COc1ccc(F)cc1)CC2.O=C(c1cc(Cl)ccc1-n1ccnn1)N1C2CCC1[C@@H](COc1ccc(F)cc1)CC2.O=C(c1cc(F)ccc1-c1ncccn1)N1C2CCC1[C@@H](COc1ccc(F)cc1)CC2.
What is the InChIKey of (5-chloro-2-pyrimidin-2-ylphenyl)-[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methanone;[5-chloro-2-(triazol-1-yl)phenyl]-[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methanone;[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone;[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone?
The InChIKey is NLTBELUAJWZZDX-BHTGEQTHSA-N. The full InChI is InChI=1S/C25H23ClFN3O2.C25H23F2N3O2.C25H26FN3O2.C23H22ClFN4O2/c26-17-3-10-21(24-28-12-1-13-29-24)22(14-17)25(31)30-19-6-2-16(23(30)11-7-19)15-32-20-8-4-18(27)5-9-20;26-17-3-8-20(9-4-17)32-15-16-2-6-19-7-11-23(16)30(19)25(31)22-14-18(27)5-10-21(22)24-28-12-1-13-29-24;1-17-3-11-24(28-14-2-13-27-28)22(15-17)25(30)29-20-7-4-18(23(29)12-8-20)16-31-21-9-5-19(26)6-10-21;24-16-2-9-22(28-12-11-26-27-28)20(13-16)23(30)29-18-5-1-15(21(29)10-6-18)14-31-19-7-3-17(25)4-8-19/h2*1,3-5,8-10,12-14,16,19,23H,2,6-7,11,15H2;2-3,5-6,9-11,13-15,18,20,23H,4,7-8,12,16H2,1H3;2-4,7-9,11-13,15,18,21H,1,5-6,10,14H2/t2*16-,19?,23?;18-,20?,23?;15-,18?,21?/m1111/s1.
What are the key properties of (5-chloro-2-pyrimidin-2-ylphenyl)-[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methanone;[5-chloro-2-(triazol-1-yl)phenyl]-[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methanone;[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone;[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone?
(5-chloro-2-pyrimidin-2-ylphenyl)-[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methanone;[5-chloro-2-(triazol-1-yl)phenyl]-[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methanone;[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone;[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone has a molecular weight of 1747.81 g/mol, XLogP of 19.59, 20 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-pyrimidin-2-ylphenyl)-[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methanone;[5-chloro-2-(triazol-1-yl)phenyl]-[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methanone;[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone;[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 159817085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).