[2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone;[2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;(3-fluoro-2-methoxyphenyl)-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone

C89H98F5N17O10 — CID 158489717

IUPAC[2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone;[2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;(3-fluoro-2-methoxyphenyl)-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
SMILESCCOc1ccc(C)nc1C(=O)N1C2CCC1C(COc1ccc(C(C)(F)F)cn1)C2.COc1c(F)cccc1C(=O)N1C2CCC1C(COc1ccc(C)cn1)C2.Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccc(C(C)(F)F)cn2)C3)n1.Cc1ccc(OCC2CC3CCC2N3C(=O)c2nc(C)ccc2-n2nccn2)nc1
InChIInChI=1S/C23H24F2N6O2.C23H27F2N3O3.C22H24N6O2.C21H23FN2O3/c1-14-3-6-19(31-27-9-10-28-31)21(29-14)22(32)30-17-5-7-18(30)15(11-17)13-33-20-8-4-16(12-26-20)23(2,24)25;1-4-30-19-9-5-14(2)27-21(19)22(29)28-17-7-8-18(28)15(11-17)13-31-20-10-6-16(12-26-20)23(3,24)25;1-14-3-8-20(23-12-14)30-13-16-11-17-5-7-18(16)27(17)22(29)21-19(6-4-15(2)26-21)28-24-9-10-25-28;1-13-6-9-19(23-11-13)27-12-14-10-15-7-8-18(14)24(15)21(25)16-4-3-5-17(22)20(16)26-2/h3-4,6,8-10,12,15,17-18H,5,7,11,13H2,1-2H3;5-6,9-10,12,15,17-18H,4,7-8,11,13H2,1-3H3;3-4,6,8-10,12,16-18H,5,7,11,13H2,1-2H3;3-6,9,11,14-15,18H,7-8,10,12H2,1-2H3
InChIKeyHINWNBPZZZHNBR-UHFFFAOYSA-N
MW1660.86 g/mol
LogP14.27
Rot. Bonds23

About [2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone;[2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;(3-fluoro-2-methoxyphenyl)-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone

[2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone;[2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;(3-fluoro-2-methoxyphenyl)-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone (PubChem CID 158489717) has the molecular formula C89H98F5N17O10 and a molecular weight of 1660.86 g/mol. Its IUPAC name is [2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone;[2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;(3-fluoro-2-methoxyphenyl)-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone;[2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;(3-fluoro-2-methoxyphenyl)-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
PubChem CID158489717
Molecular FormulaC89H98F5N17O10
Molecular Weight1660.86 g/mol
Exact Mass1659.76
IUPAC Name[2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone;[2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;(3-fluoro-2-methoxyphenyl)-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
SMILESCCOc1ccc(C)nc1C(=O)N1C2CCC1C(COc1ccc(C(C)(F)F)cn1)C2.COc1c(F)cccc1C(=O)N1C2CCC1C(COc1ccc(C)cn1)C2.Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccc(C(C)(F)F)cn2)C3)n1.Cc1ccc(OCC2CC3CCC2N3C(=O)c2nc(C)ccc2-n2nccn2)nc1
InChIInChI=1S/C23H24F2N6O2.C23H27F2N3O3.C22H24N6O2.C21H23FN2O3/c1-14-3-6-19(31-27-9-10-28-31)21(29-14)22(32)30-17-5-7-18(30)15(11-17)13-33-20-8-4-16(12-26-20)23(2,24)25;1-4-30-19-9-5-14(2)27-21(19)22(29)28-17-7-8-18(28)15(11-17)13-31-20-10-6-16(12-26-20)23(3,24)25;1-14-3-8-20(23-12-14)30-13-16-11-17-5-7-18(16)27(17)22(29)21-19(6-4-15(2)26-21)28-24-9-10-25-28;1-13-6-9-19(23-11-13)27-12-14-10-15-7-8-18(14)24(15)21(25)16-4-3-5-17(22)20(16)26-2/h3-4,6,8-10,12,15,17-18H,5,7,11,13H2,1-2H3;5-6,9-10,12,15,17-18H,4,7-8,11,13H2,1-3H3;3-4,6,8-10,12,16-18H,5,7,11,13H2,1-2H3;3-6,9,11,14-15,18H,7-8,10,12H2,1-2H3
InChIKeyHINWNBPZZZHNBR-UHFFFAOYSA-N
XLogP14.27
TPSA288.27 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds23
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001660.86
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze [2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone;[2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;(3-fluoro-2-methoxyphenyl)-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]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

[4,5-Difluoro-2-[4-[[1-[3-fluoro-2-[4-[1-[4-fluoro-2-methyl-6-(triazol-2-yl)benzoyl]-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-4-yl]triazol-2-yl]-6-methylbenzoyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-3-yl]methyl]triazol-2-yl]phenyl]-[3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 123746299
5-[4-[5-[2-[3-[4-(5-methoxypyridin-3-yl)triazol-1-yl]-5-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]pyridin-2-yl]ethoxy]pyridin-3-yl]triazol-1-yl]-N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide
CID 143962173
N-ethyl-6-[2-[2-[ethyl-[(2S)-1-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamoyl]-3-pyridinyl]triazol-4-yl]-3-(triazol-2-yl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyridine-2-carboxamide
CID 155048134
(7S)-2-(5,6-dimethoxy-3-pyridinyl)-7-ethoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(2R)-2'-(5,6-dimethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;(2S)-2'-(5,6-dimethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5-ethoxy-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5-ethoxy-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 157162836
(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
[2-[(5-Methoxy-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-[(5-methyl-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 157450349
(3-amino-5-methyl-2-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;2-cyclopentyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone;cyclopentyl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;2-(2,2-difluoropropoxy)-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone;2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone;1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-propan-2-yloxyethanone
CID 157459897
N-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide;formic acid;N-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-[6-(2-oxopropyl)-3-pyridinyl]pyridine-2-carboxamide;N-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-(2-phenylmethoxy-4-pyridinyl)pyridine-2-carboxamide;N-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-pyridin-3-ylpyridine-2-carboxamide;N-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-pyridin-4-ylpyridine-2-carboxamide;N-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide
CID 157596548
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
[(2R,5R)-5-[[4-(2-hydroxybutan-2-yl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-5-[3-(1-hydroxyethyl)phenoxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-5-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-2-methyl-5-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenoxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 157779632
3-(Difluoromethyl)-1-methyl-5-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyrazole-4-carbaldehyde;4-fluoro-7-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-2,3-dihydroinden-1-one;1-methyl-5-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]-3-(trifluoromethyl)pyrazole-4-carbaldehyde;2-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]oxymethyl]benzaldehyde
CID 157807602

Frequently Asked Questions

What is the IUPAC name of [2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone;[2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;(3-fluoro-2-methoxyphenyl)-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?
The IUPAC name of [2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone;[2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;(3-fluoro-2-methoxyphenyl)-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone (CID 158489717) is [2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone;[2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;(3-fluoro-2-methoxyphenyl)-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone.
What is the SMILES notation for [2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone;[2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;(3-fluoro-2-methoxyphenyl)-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?
The canonical SMILES for [2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone;[2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;(3-fluoro-2-methoxyphenyl)-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone is CCOc1ccc(C)nc1C(=O)N1C2CCC1C(COc1ccc(C(C)(F)F)cn1)C2.COc1c(F)cccc1C(=O)N1C2CCC1C(COc1ccc(C)cn1)C2.Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccc(C(C)(F)F)cn2)C3)n1.Cc1ccc(OCC2CC3CCC2N3C(=O)c2nc(C)ccc2-n2nccn2)nc1.
What is the InChIKey of [2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone;[2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;(3-fluoro-2-methoxyphenyl)-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?
The InChIKey is HINWNBPZZZHNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N6O2.C23H27F2N3O3.C22H24N6O2.C21H23FN2O3/c1-14-3-6-19(31-27-9-10-28-31)21(29-14)22(32)30-17-5-7-18(30)15(11-17)13-33-20-8-4-16(12-26-20)23(2,24)25;1-4-30-19-9-5-14(2)27-21(19)22(29)28-17-7-8-18(28)15(11-17)13-31-20-10-6-16(12-26-20)23(3,24)25;1-14-3-8-20(23-12-14)30-13-16-11-17-5-7-18(16)27(17)22(29)21-19(6-4-15(2)26-21)28-24-9-10-25-28;1-13-6-9-19(23-11-13)27-12-14-10-15-7-8-18(14)24(15)21(25)16-4-3-5-17(22)20(16)26-2/h3-4,6,8-10,12,15,17-18H,5,7,11,13H2,1-2H3;5-6,9-10,12,15,17-18H,4,7-8,11,13H2,1-3H3;3-4,6,8-10,12,16-18H,5,7,11,13H2,1-2H3;3-6,9,11,14-15,18H,7-8,10,12H2,1-2H3.
What are the key properties of [2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone;[2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;(3-fluoro-2-methoxyphenyl)-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?
[2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone;[2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;(3-fluoro-2-methoxyphenyl)-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone has a molecular weight of 1660.86 g/mol, XLogP of 14.27, 23 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone;[2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;(3-fluoro-2-methoxyphenyl)-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 158489717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).