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

C85H85FN22O8 — CID 157370912

IUPAC(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone
SMILESCc1ccc(OC2CC3CC2N(C(=O)c2ccc(C)nc2-n2nccn2)C3)nc1.Cc1ccc(OC2CC3CC2N(C(=O)c2cccc(F)c2-c2ncccn2)C3)nc1.Cc1ccc(OC2CC3CC2N(C(=O)c2ncc(C)cc2-n2nccn2)C3)nc1.Cc1ccc(OC2CC3CC2N(C(=O)c2ncccc2-n2nccn2)C3)nc1
InChIInChI=1S/C23H21FN4O2.2C21H22N6O2.C20H20N6O2/c1-14-6-7-20(27-12-14)30-19-11-15-10-18(19)28(13-15)23(29)16-4-2-5-17(24)21(16)22-25-8-3-9-26-22;1-13-3-6-19(22-11-13)29-18-10-15-9-17(18)26(12-15)21(28)16-5-4-14(2)25-20(16)27-23-7-8-24-27;1-13-3-4-19(22-10-13)29-18-9-15-8-16(18)26(12-15)21(28)20-17(7-14(2)11-23-20)27-24-5-6-25-27;1-13-4-5-18(22-11-13)28-17-10-14-9-16(17)25(12-14)20(27)19-15(3-2-6-21-19)26-23-7-8-24-26/h2-9,12,15,18-19H,10-11,13H2,1H3;3-8,11,15,17-18H,9-10,12H2,1-2H3;3-7,10-11,15-16,18H,8-9,12H2,1-2H3;2-8,11,14,16-17H,9-10,12H2,1H3
InChIKeyBJTDSWMNFUZZCW-UHFFFAOYSA-N
MW1561.76 g/mol
LogP10.43
Rot. Bonds16

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

(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone (PubChem CID 157370912) has the molecular formula C85H85FN22O8 and a molecular weight of 1561.76 g/mol. Its IUPAC name is (3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone
PubChem CID157370912
Molecular FormulaC85H85FN22O8
Molecular Weight1561.76 g/mol
Exact Mass1560.69
IUPAC Name(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone
SMILESCc1ccc(OC2CC3CC2N(C(=O)c2ccc(C)nc2-n2nccn2)C3)nc1.Cc1ccc(OC2CC3CC2N(C(=O)c2cccc(F)c2-c2ncccn2)C3)nc1.Cc1ccc(OC2CC3CC2N(C(=O)c2ncc(C)cc2-n2nccn2)C3)nc1.Cc1ccc(OC2CC3CC2N(C(=O)c2ncccc2-n2nccn2)C3)nc1
InChIInChI=1S/C23H21FN4O2.2C21H22N6O2.C20H20N6O2/c1-14-6-7-20(27-12-14)30-19-11-15-10-18(19)28(13-15)23(29)16-4-2-5-17(24)21(16)22-25-8-3-9-26-22;1-13-3-6-19(22-11-13)29-18-10-15-9-17(18)26(12-15)21(28)16-5-4-14(2)25-20(16)27-23-7-8-24-27;1-13-3-4-19(22-10-13)29-18-9-15-8-16(18)26(12-15)21(28)20-17(7-14(2)11-23-20)27-24-5-6-25-27;1-13-4-5-18(22-11-13)28-17-10-14-9-16(17)25(12-14)20(27)19-15(3-2-6-21-19)26-23-7-8-24-26/h2-9,12,15,18-19H,10-11,13H2,1H3;3-8,11,15,17-18H,9-10,12H2,1-2H3;3-7,10-11,15-16,18H,8-9,12H2,1-2H3;2-8,11,14,16-17H,9-10,12H2,1H3
InChIKeyBJTDSWMNFUZZCW-UHFFFAOYSA-N
XLogP10.43
TPSA326.30 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds16
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001561.76
LogP ≤ 510.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

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

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Launch Full Analysis

Related Compounds

N-[6-[1-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]-7-oxo-2-propan-2-yloxy-5H-pyrrolo[3,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 170740953
US9611277, Example 286
CID 117637578
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-[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
[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;(6-methoxy-2-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(6-methoxy-3-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-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 157724632
[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone
CID 157796606
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
5-chloro-N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-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-pyrimidin-2-ylpyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-4-(triazol-2-yl)pyridine-3-carboxamide;N-ethyl-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-3-(triazol-2-yl)pyridine-2-carboxamide
CID 157877508
[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
(3-Fluoro-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[4-methoxy-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-1-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158062369
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

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone?
The IUPAC name of (3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone (CID 157370912) is (3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone.
What is the SMILES notation for (3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone?
The canonical SMILES for (3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone is Cc1ccc(OC2CC3CC2N(C(=O)c2ccc(C)nc2-n2nccn2)C3)nc1.Cc1ccc(OC2CC3CC2N(C(=O)c2cccc(F)c2-c2ncccn2)C3)nc1.Cc1ccc(OC2CC3CC2N(C(=O)c2ncc(C)cc2-n2nccn2)C3)nc1.Cc1ccc(OC2CC3CC2N(C(=O)c2ncccc2-n2nccn2)C3)nc1.
What is the InChIKey of (3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone?
The InChIKey is BJTDSWMNFUZZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2.2C21H22N6O2.C20H20N6O2/c1-14-6-7-20(27-12-14)30-19-11-15-10-18(19)28(13-15)23(29)16-4-2-5-17(24)21(16)22-25-8-3-9-26-22;1-13-3-6-19(22-11-13)29-18-10-15-9-17(18)26(12-15)21(28)16-5-4-14(2)25-20(16)27-23-7-8-24-27;1-13-3-4-19(22-10-13)29-18-9-15-8-16(18)26(12-15)21(28)20-17(7-14(2)11-23-20)27-24-5-6-25-27;1-13-4-5-18(22-11-13)28-17-10-14-9-16(17)25(12-14)20(27)19-15(3-2-6-21-19)26-23-7-8-24-26/h2-9,12,15,18-19H,10-11,13H2,1H3;3-8,11,15,17-18H,9-10,12H2,1-2H3;3-7,10-11,15-16,18H,8-9,12H2,1-2H3;2-8,11,14,16-17H,9-10,12H2,1H3.
What are the key properties of (3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone?
(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone has a molecular weight of 1561.76 g/mol, XLogP of 10.43, 16 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 157370912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).