(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(5-methylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-(5-methylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone

C105H104F2N30O10 — CID 157318445

IUPAC(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(5-methylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-(5-methylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
SMILESCc1ccc(OC2CC3CC2N(C(=O)c2nc(C)ccc2-n2nccn2)C3)nc1.Cc1cnc(OC2CC3CC2N(C(=O)c2cccc(F)c2-c2ncccn2)C3)cn1.Cc1cnc(OC2CC3CC2N(C(=O)c2cccc(F)c2-c2ncccn2)C3)nc1.Cc1cnc(OC2CC3CC2N(C(=O)c2nc(C)ccc2-n2nccn2)C3)cn1.Cc1cnc(OC2CC3CC2N(C(=O)c2nc(C)ccc2-n2nccn2)C3)nc1
InChIInChI=1S/2C22H20FN5O2.C21H22N6O2.2C20H21N7O2/c1-13-10-27-19(11-26-13)30-18-9-14-8-17(18)28(12-14)22(29)15-4-2-5-16(23)20(15)21-24-6-3-7-25-21;1-13-10-26-22(27-11-13)30-18-9-14-8-17(18)28(12-14)21(29)15-4-2-5-16(23)19(15)20-24-6-3-7-25-20;1-13-3-6-19(22-11-13)29-18-10-15-9-17(18)26(12-15)21(28)20-16(5-4-14(2)25-20)27-23-7-8-24-27;1-12-9-21-20(22-10-12)29-17-8-14-7-16(17)26(11-14)19(28)18-15(4-3-13(2)25-18)27-23-5-6-24-27;1-12-3-4-15(27-23-5-6-24-27)19(25-12)20(28)26-11-14-7-16(26)17(8-14)29-18-10-21-13(2)9-22-18/h2*2-7,10-11,14,17-18H,8-9,12H2,1H3;3-8,11,15,17-18H,9-10,12H2,1-2H3;2*3-6,9-10,14,16-17H,7-8,11H2,1-2H3
InChIKeyBDWOORRGEMZINX-UHFFFAOYSA-N
MW1984.18 g/mol
LogP11.98
Rot. Bonds20

About (3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(5-methylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-(5-methylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone

(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(5-methylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-(5-methylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone (PubChem CID 157318445) has the molecular formula C105H104F2N30O10 and a molecular weight of 1984.18 g/mol. Its IUPAC name is (3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(5-methylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-(5-methylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(5-methylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-(5-methylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
PubChem CID157318445
Molecular FormulaC105H104F2N30O10
Molecular Weight1984.18 g/mol
Exact Mass1982.85
IUPAC Name(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(5-methylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-(5-methylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
SMILESCc1ccc(OC2CC3CC2N(C(=O)c2nc(C)ccc2-n2nccn2)C3)nc1.Cc1cnc(OC2CC3CC2N(C(=O)c2cccc(F)c2-c2ncccn2)C3)cn1.Cc1cnc(OC2CC3CC2N(C(=O)c2cccc(F)c2-c2ncccn2)C3)nc1.Cc1cnc(OC2CC3CC2N(C(=O)c2nc(C)ccc2-n2nccn2)C3)cn1.Cc1cnc(OC2CC3CC2N(C(=O)c2nc(C)ccc2-n2nccn2)C3)nc1
InChIInChI=1S/2C22H20FN5O2.C21H22N6O2.2C20H21N7O2/c1-13-10-27-19(11-26-13)30-18-9-14-8-17(18)28(12-14)22(29)15-4-2-5-16(23)20(15)21-24-6-3-7-25-21;1-13-10-26-22(27-11-13)30-18-9-14-8-17(18)28(12-14)21(29)15-4-2-5-16(23)19(15)20-24-6-3-7-25-20;1-13-3-6-19(22-11-13)29-18-10-15-9-17(18)26(12-15)21(28)20-16(5-4-14(2)25-20)27-23-7-8-24-27;1-12-9-21-20(22-10-12)29-17-8-14-7-16(17)26(11-14)19(28)18-15(4-3-13(2)25-18)27-23-5-6-24-27;1-12-3-4-15(27-23-5-6-24-27)19(25-12)20(28)26-11-14-7-16(26)17(8-14)29-18-10-21-13(2)9-22-18/h2*2-7,10-11,14,17-18H,8-9,12H2,1H3;3-8,11,15,17-18H,9-10,12H2,1-2H3;2*3-6,9-10,14,16-17H,7-8,11H2,1-2H3
InChIKeyBDWOORRGEMZINX-UHFFFAOYSA-N
XLogP11.98
TPSA446.07 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds20
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001984.18
LogP ≤ 511.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze (3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(5-methylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-(5-methylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-4-fluoro-2-(1-methylpyrazol-3-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-3-pyrazol-1-ylpyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-(triazol-2-yl)pyridine-3-carboxamide
CID 157065681
(3-Ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 157197432
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
[3-(1,1-difluoroethyl)-4-fluorophenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-methoxypyrazin-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(4-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-methylpyrimidin-5-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
CID 157638254
N-[(2S)-1-[5-(1,1-difluoroethyl)pyrazin-2-yl]oxypropan-2-yl]-N-ethyl-2-methyl-4-phenylpyrimidine-5-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrazin-2-yl]oxypropan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-pyrazol-1-yl-5-(trifluoromethyl)pyridine-3-carboxamide;N-ethyl-6-methyl-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-3-(triazol-2-yl)pyridine-2-carboxamide
CID 157682785
2-(2-fluoropropan-2-yl)-N-[6-methyl-5-(1-methyl-7-morpholin-4-ylpyrazolo[4,5-d]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-[[(2S)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]phenyl]pyridine-4-carboxamide;N-[6-methyl-5-(1-methyl-7-morpholin-4-ylpyrazolo[4,5-d]pyrimidin-5-yl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[2-morpholin-4-yl-6-[[(2S)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[4-methyl-3-[2-morpholin-4-yl-6-[[(2S)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 157812885
[2-(1,1-difluoroethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2,6-difluorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[4-fluoro-3-(2-fluoropropan-2-yl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-methoxypyrazin-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(4-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(4-methylphenyl)-(2-phenylmethoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone;(2-methylpyrimidin-5-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
CID 157999380
[2-[(5-Fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]methanone;[6-methyl-3-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[5-methyl-2-(triazol-2-yl)phenyl]-[2-[[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158051729
N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[6-(1,1-difluoroethyl)-5-fluoro-2-pyridinyl]butan-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-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyridine-2-carboxamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-methoxy-2-(triazol-2-yl)benzamide;N-ethyl-3-fluoro-N-[(2S)-4-(5-methyl-2-pyridinyl)butan-2-yl]-2-(triazol-2-yl)benzamide;methane
CID 158220183
[5-Fluoro-2-(triazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(2-methoxy-6-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158325543
[3-(1,1-difluoroethyl)-4-fluorophenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2,6-difluorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(1,5-dimethylpyrrol-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-fluoro-2-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-methoxypyrazin-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(6-methoxy-2-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-methylpyrimidin-5-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-pyridin-2-ylmethanone
CID 158342124
[3-(1,1-difluoroethyl)-4-fluorophenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2,6-difluorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-methoxypyrazin-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(6-methoxy-2-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(4-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-methylpyrimidin-5-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-pyridin-2-ylmethanone
CID 158487104

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(5-methylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-(5-methylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?
The IUPAC name of (3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(5-methylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-(5-methylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone (CID 157318445) is (3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(5-methylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-(5-methylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone.
What is the SMILES notation for (3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(5-methylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-(5-methylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?
The canonical SMILES for (3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(5-methylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-(5-methylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone is Cc1ccc(OC2CC3CC2N(C(=O)c2nc(C)ccc2-n2nccn2)C3)nc1.Cc1cnc(OC2CC3CC2N(C(=O)c2cccc(F)c2-c2ncccn2)C3)cn1.Cc1cnc(OC2CC3CC2N(C(=O)c2cccc(F)c2-c2ncccn2)C3)nc1.Cc1cnc(OC2CC3CC2N(C(=O)c2nc(C)ccc2-n2nccn2)C3)cn1.Cc1cnc(OC2CC3CC2N(C(=O)c2nc(C)ccc2-n2nccn2)C3)nc1.
What is the InChIKey of (3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(5-methylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-(5-methylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?
The InChIKey is BDWOORRGEMZINX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H20FN5O2.C21H22N6O2.2C20H21N7O2/c1-13-10-27-19(11-26-13)30-18-9-14-8-17(18)28(12-14)22(29)15-4-2-5-16(23)20(15)21-24-6-3-7-25-21;1-13-10-26-22(27-11-13)30-18-9-14-8-17(18)28(12-14)21(29)15-4-2-5-16(23)19(15)20-24-6-3-7-25-20;1-13-3-6-19(22-11-13)29-18-10-15-9-17(18)26(12-15)21(28)20-16(5-4-14(2)25-20)27-23-7-8-24-27;1-12-9-21-20(22-10-12)29-17-8-14-7-16(17)26(11-14)19(28)18-15(4-3-13(2)25-18)27-23-5-6-24-27;1-12-3-4-15(27-23-5-6-24-27)19(25-12)20(28)26-11-14-7-16(26)17(8-14)29-18-10-21-13(2)9-22-18/h2*2-7,10-11,14,17-18H,8-9,12H2,1H3;3-8,11,15,17-18H,9-10,12H2,1-2H3;2*3-6,9-10,14,16-17H,7-8,11H2,1-2H3.
What are the key properties of (3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(5-methylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-(5-methylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?
(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(5-methylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-(5-methylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone has a molecular weight of 1984.18 g/mol, XLogP of 11.98, 20 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(5-methylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-(5-methylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 157318445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).