[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(triazol-2-yl)phenyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone

C84H82F6N24O6 — CID 160942769

IUPAC[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(triazol-2-yl)phenyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2CC3CC(Oc4ncccc4C(F)(F)F)C2C3)n1.Cc1ccc(NC2CC3CC2N(C(=O)c2ccccc2-n2nccn2)C3)nc1.Cc1ccc(NC2CC3CC2N(C(=O)c2nc(C)ccc2-n2nccn2)C3)nc1.O=C(c1ccccc1-n1nccn1)N1CC2CC(Oc3ncccc3C(F)(F)F)C1C2
InChIInChI=1S/C21H19F3N6O2.C21H18F3N5O2.C21H23N7O.C21H22N6O/c1-12-4-5-15(30-26-7-8-27-30)18(28-12)20(31)29-11-13-9-16(29)17(10-13)32-19-14(21(22,23)24)3-2-6-25-19;22-21(23,24)15-5-3-7-25-19(15)31-18-11-13-10-17(18)28(12-13)20(30)14-4-1-2-6-16(14)29-26-8-9-27-29;1-13-3-6-19(22-11-13)26-16-9-15-10-18(16)27(12-15)21(29)20-17(5-4-14(2)25-20)28-23-7-8-24-28;1-14-6-7-20(22-12-14)25-17-10-15-11-19(17)26(13-15)21(28)16-4-2-3-5-18(16)27-23-8-9-24-27/h2-8,13,16-17H,9-11H2,1H3;1-9,13,17-18H,10-12H2;3-8,11,15-16,18H,9-10,12H2,1-2H3,(H,22,26);2-9,12,15,17,19H,10-11,13H2,1H3,(H,22,25)
InChIKeySUSKUWFCQMSNCZ-UHFFFAOYSA-N
MW1637.73 g/mol
LogP11.50
Rot. Bonds16

About [6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(triazol-2-yl)phenyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone

[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(triazol-2-yl)phenyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (PubChem CID 160942769) has the molecular formula C84H82F6N24O6 and a molecular weight of 1637.73 g/mol. Its IUPAC name is [6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(triazol-2-yl)phenyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.

Molecular Properties

Compound Name[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(triazol-2-yl)phenyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
PubChem CID160942769
Molecular FormulaC84H82F6N24O6
Molecular Weight1637.73 g/mol
Exact Mass1636.68
IUPAC Name[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(triazol-2-yl)phenyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2CC3CC(Oc4ncccc4C(F)(F)F)C2C3)n1.Cc1ccc(NC2CC3CC2N(C(=O)c2ccccc2-n2nccn2)C3)nc1.Cc1ccc(NC2CC3CC2N(C(=O)c2nc(C)ccc2-n2nccn2)C3)nc1.O=C(c1ccccc1-n1nccn1)N1CC2CC(Oc3ncccc3C(F)(F)F)C1C2
InChIInChI=1S/C21H19F3N6O2.C21H18F3N5O2.C21H23N7O.C21H22N6O/c1-12-4-5-15(30-26-7-8-27-30)18(28-12)20(31)29-11-13-9-16(29)17(10-13)32-19-14(21(22,23)24)3-2-6-25-19;22-21(23,24)15-5-3-7-25-19(15)31-18-11-13-10-17(18)28(12-13)20(30)14-4-1-2-6-16(14)29-26-8-9-27-29;1-13-3-6-19(22-11-13)26-16-9-15-10-18(16)27(12-15)21(29)20-17(5-4-14(2)25-20)28-23-7-8-24-28;1-14-6-7-20(22-12-14)25-17-10-15-11-19(17)26(13-15)21(28)16-4-2-3-5-18(16)27-23-8-9-24-27/h2-8,13,16-17H,9-11H2,1H3;1-9,13,17-18H,10-12H2;3-8,11,15-16,18H,9-10,12H2,1-2H3,(H,22,26);2-9,12,15,17,19H,10-11,13H2,1H3,(H,22,25)
InChIKeySUSKUWFCQMSNCZ-UHFFFAOYSA-N
XLogP11.50
TPSA323.94 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds16
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001637.73
LogP ≤ 511.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Analyze [6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(triazol-2-yl)phenyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone with MolForge

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Related Compounds

(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
[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;bis([6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone);[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 157402648
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
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
1-[2-(cyclopropylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;ethyl 1-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperidine-3-carboxylate;3-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide
CID 158442339
N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-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-3-fluoro-5-(triazol-2-yl)pyridine-4-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-2-(1-methylpyrazol-3-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-ethyl-5-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide
CID 158641643
[6-[(3-Fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 158665179
[3-Fluoro-2-(triazol-2-yl)phenyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-1-yl)-3-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-1-yl)-3-pyridinyl]-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158749843
(3-methyl-2-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[5-methyl-2-(triazol-2-yl)-3-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)-3-pyridinyl]methanone;[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-[2-(triazol-2-yl)-3-pyridinyl]methanone
CID 158844267
[(2S,3R)-3-(5-chloropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
CID 159135445
[5-Methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 159315690
[2-[[(4,6-Dimethylpyrimidin-2-yl)amino]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-fluoro-2-(triazol-2-yl)phenyl]methanone;(3-fluoro-2-methoxyphenyl)-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[5-fluoro-2-(triazol-2-yl)phenyl]-[2-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[5-fluoro-2-(triazol-2-yl)phenyl]-[2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 159761753

Frequently Asked Questions

What is the IUPAC name of [6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(triazol-2-yl)phenyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The IUPAC name of [6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(triazol-2-yl)phenyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (CID 160942769) is [6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(triazol-2-yl)phenyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.
What is the SMILES notation for [6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(triazol-2-yl)phenyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The canonical SMILES for [6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(triazol-2-yl)phenyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is Cc1ccc(-n2nccn2)c(C(=O)N2CC3CC(Oc4ncccc4C(F)(F)F)C2C3)n1.Cc1ccc(NC2CC3CC2N(C(=O)c2ccccc2-n2nccn2)C3)nc1.Cc1ccc(NC2CC3CC2N(C(=O)c2nc(C)ccc2-n2nccn2)C3)nc1.O=C(c1ccccc1-n1nccn1)N1CC2CC(Oc3ncccc3C(F)(F)F)C1C2.
What is the InChIKey of [6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(triazol-2-yl)phenyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The InChIKey is SUSKUWFCQMSNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N6O2.C21H18F3N5O2.C21H23N7O.C21H22N6O/c1-12-4-5-15(30-26-7-8-27-30)18(28-12)20(31)29-11-13-9-16(29)17(10-13)32-19-14(21(22,23)24)3-2-6-25-19;22-21(23,24)15-5-3-7-25-19(15)31-18-11-13-10-17(18)28(12-13)20(30)14-4-1-2-6-16(14)29-26-8-9-27-29;1-13-3-6-19(22-11-13)26-16-9-15-10-18(16)27(12-15)21(29)20-17(5-4-14(2)25-20)28-23-7-8-24-28;1-14-6-7-20(22-12-14)25-17-10-15-11-19(17)26(13-15)21(28)16-4-2-3-5-18(16)27-23-8-9-24-27/h2-8,13,16-17H,9-11H2,1H3;1-9,13,17-18H,10-12H2;3-8,11,15-16,18H,9-10,12H2,1-2H3,(H,22,26);2-9,12,15,17,19H,10-11,13H2,1H3,(H,22,25).
What are the key properties of [6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(triazol-2-yl)phenyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(triazol-2-yl)phenyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone has a molecular weight of 1637.73 g/mol, XLogP of 11.50, 16 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(triazol-2-yl)phenyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is sourced from PubChem (CID 160942769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).