N-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-amine;(1R,5S)-N-[1-(2-chlorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-ethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-fluorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(imidazo[1,2-b]pyridazin-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(3-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C130H178ClF2N21O14 — CID 157050463

IUPACN-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-amine;(1R,5S)-N-[1-(2-chlorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-ethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-fluorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(imidazo[1,2-b]pyridazin-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(3-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESC=C(NC(C)(C)COc1ncccc1C)C1[C@H]2CNC[C@@H]12.CC(C)(COc1ccccc1Cl)NC(=O)C1[C@H]2CNC[C@@H]12.CC(C)(COc1ccccc1F)NC(=O)C1[C@H]2CNC[C@@H]12.CCc1ccccc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.Cc1cc(F)cnc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.Cc1cccc(OCC(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)c1.Cc1ccccc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.O=C(NCc1cnc2cccnn12)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C18H26N2O2.C17H25N3O.2C17H24N2O2.C16H21ClN2O2.C16H22FN3O2.C16H21FN2O2.C13H15N5O/c1-4-12-7-5-6-8-15(12)22-11-18(2,3)20-17(21)16-13-9-19-10-14(13)16;1-11-6-5-7-19-16(11)21-10-17(3,4)20-12(2)15-13-8-18-9-14(13)15;1-11-5-4-6-12(7-11)21-10-17(2,3)19-16(20)15-13-8-18-9-14(13)15;1-11-6-4-5-7-14(11)21-10-17(2,3)19-16(20)15-12-8-18-9-13(12)15;1-16(2,9-21-13-6-4-3-5-12(13)17)19-15(20)14-10-7-18-8-11(10)14;1-9-4-10(17)5-19-15(9)22-8-16(2,3)20-14(21)13-11-6-18-7-12(11)13;1-16(2,9-21-13-6-4-3-5-12(13)17)19-15(20)14-10-7-18-8-11(10)14;19-13(12-9-6-14-7-10(9)12)16-5-8-4-15-11-2-1-3-17-18(8)11/h5-8,13-14,16,19H,4,9-11H2,1-3H3,(H,20,21);5-7,13-15,18,20H,2,8-10H2,1,3-4H3;4-7,13-15,18H,8-10H2,1-3H3,(H,19,20);4-7,12-13,15,18H,8-10H2,1-3H3,(H,19,20);3-6,10-11,14,18H,7-9H2,1-2H3,(H,19,20);4-5,11-13,18H,6-8H2,1-3H3,(H,20,21);3-6,10-11,14,18H,7-9H2,1-2H3,(H,19,20);1-4,9-10,12,14H,5-7H2,(H,16,19)/t13-,14+,16?;2*13-,14+,15?;12-,13+,15?;10-,11+,14?;11-,12+,13?;10-,11+,14?;9-,10+,12?
InChIKeyAADIPEPTBNQKKF-VDCFCDHJSA-N
MW2332.44 g/mol
LogP12.29
Rot. Bonds40

About N-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-amine;(1R,5S)-N-[1-(2-chlorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-ethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-fluorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(imidazo[1,2-b]pyridazin-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(3-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

N-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-amine;(1R,5S)-N-[1-(2-chlorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-ethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-fluorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(imidazo[1,2-b]pyridazin-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(3-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 157050463) has the molecular formula C130H178ClF2N21O14 and a molecular weight of 2332.44 g/mol. Its IUPAC name is N-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-amine;(1R,5S)-N-[1-(2-chlorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-ethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-fluorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(imidazo[1,2-b]pyridazin-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(3-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-amine;(1R,5S)-N-[1-(2-chlorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-ethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-fluorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(imidazo[1,2-b]pyridazin-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(3-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID157050463
Molecular FormulaC130H178ClF2N21O14
Molecular Weight2332.44 g/mol
Exact Mass2330.35
IUPAC NameN-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-amine;(1R,5S)-N-[1-(2-chlorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-ethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-fluorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(imidazo[1,2-b]pyridazin-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(3-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESC=C(NC(C)(C)COc1ncccc1C)C1[C@H]2CNC[C@@H]12.CC(C)(COc1ccccc1Cl)NC(=O)C1[C@H]2CNC[C@@H]12.CC(C)(COc1ccccc1F)NC(=O)C1[C@H]2CNC[C@@H]12.CCc1ccccc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.Cc1cc(F)cnc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.Cc1cccc(OCC(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)c1.Cc1ccccc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.O=C(NCc1cnc2cccnn12)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C18H26N2O2.C17H25N3O.2C17H24N2O2.C16H21ClN2O2.C16H22FN3O2.C16H21FN2O2.C13H15N5O/c1-4-12-7-5-6-8-15(12)22-11-18(2,3)20-17(21)16-13-9-19-10-14(13)16;1-11-6-5-7-19-16(11)21-10-17(3,4)20-12(2)15-13-8-18-9-14(13)15;1-11-5-4-6-12(7-11)21-10-17(2,3)19-16(20)15-13-8-18-9-14(13)15;1-11-6-4-5-7-14(11)21-10-17(2,3)19-16(20)15-12-8-18-9-13(12)15;1-16(2,9-21-13-6-4-3-5-12(13)17)19-15(20)14-10-7-18-8-11(10)14;1-9-4-10(17)5-19-15(9)22-8-16(2,3)20-14(21)13-11-6-18-7-12(11)13;1-16(2,9-21-13-6-4-3-5-12(13)17)19-15(20)14-10-7-18-8-11(10)14;19-13(12-9-6-14-7-10(9)12)16-5-8-4-15-11-2-1-3-17-18(8)11/h5-8,13-14,16,19H,4,9-11H2,1-3H3,(H,20,21);5-7,13-15,18,20H,2,8-10H2,1,3-4H3;4-7,13-15,18H,8-10H2,1-3H3,(H,19,20);4-7,12-13,15,18H,8-10H2,1-3H3,(H,19,20);3-6,10-11,14,18H,7-9H2,1-2H3,(H,19,20);4-5,11-13,18H,6-8H2,1-3H3,(H,20,21);3-6,10-11,14,18H,7-9H2,1-2H3,(H,19,20);1-4,9-10,12,14H,5-7H2,(H,16,19)/t13-,14+,16?;2*13-,14+,15?;12-,13+,15?;10-,11+,14?;11-,12+,13?;10-,11+,14?;9-,10+,12?
InChIKeyAADIPEPTBNQKKF-VDCFCDHJSA-N
XLogP12.29
TPSA432.55 Ų
H-Bond Donors16
H-Bond Acceptors28
Rotatable Bonds40
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002332.44
LogP ≤ 512.29
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1028

Analyze N-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-amine;(1R,5S)-N-[1-(2-chlorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-ethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-fluorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(imidazo[1,2-b]pyridazin-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(3-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide with MolForge

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Related Compounds

N-[2-[[5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-2-pyridinyl]oxy]ethyl]cyclopropanecarboxamide;N-[3-[[5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-2-pyridinyl]oxy]propyl]-2-methylpropanamide;N-[3-[[5-[3-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]-2-pyridinyl]oxy]propyl]cyclopropanecarboxamide;N-[3-[[5-[3-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-2-pyridinyl]oxy]propyl]cyclopropanecarboxamide
CID 157597360
(1S,5R)-N-[1-[(4-cyclopropyl-3-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(1-imidazo[1,2-a]pyridin-8-yloxy-2-methylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-(2-methylpyrazol-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-[4-(trifluoromethyl)pyridazin-3-yl]oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 158274742
(1S,5R)-N-[1-(2-ethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-(3-methylpyrazin-2-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-[(4-methyl-3-pyridinyl)oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(2-methylquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-[1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 158599699
4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-one;(3R)-1-N-[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,3-diamine;4-N-[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine;1-[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-amine;2-(dimethylamino)-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;N-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]phenyl]methanol
CID 159016116
CID 159459122
CID 159459122
(1R,5S)-N-[2-(3,4-dihydro-2H-chromen-2-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-4-(3-methyl-2-pyridinyl)butan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]butan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 160302057
4-(aminomethyl)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]piperidin-2-one;2-hydroxy-2-methyl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]propan-1-one;1-methyl-4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-4-ol;2-morpholin-4-yl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-2-one;(3S)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]piperidin-3-amine
CID 161175734
7-butan-2-yl-3-(2-chloro-6-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(2-chloro-6-fluoro-3-methoxyphenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(4-chloro-2-fluoro-3-methoxyphenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(2,6-difluoro-3-methoxyphenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[2-fluoro-3-(trifluoromethoxy)phenyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 162248168
2-(4-chloro-3-fluorophenoxy)-N-[3-[(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazolo[1,5-a]pyrimidin-5-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-fluorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[3-fluoro-4-(trifluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-(3,4,5-trifluorophenoxy)acetamide
CID 165029160
7-[[4-(3-chloro-5-methylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]purin-8-one;7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-(trifluoromethoxy)phenyl]purin-8-one;7-[1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]cyclopropyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 167554500
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)acetamide;1-N'-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-N-(4-imidazo[1,2-a]pyrazin-3-ylphenyl)cyclopropane-1,1-dicarboxamide;2-(3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylanilino)-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;1-N-(3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylphenyl)-1-N'-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]cyclopropane-1,1-dicarboxamide;2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;1-N-(4-imidazo[1,2-a]pyrazin-3-ylphenyl)-1-N'-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]cyclopropane-1,1-dicarboxamide;N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)acetamide
CID 167558731
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)acetamide;1-N'-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-N-(4-imidazo[1,2-a]pyrazin-3-ylphenyl)cyclopropane-1,1-dicarboxamide;1-N'-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-1-N-(4-imidazo[1,2-a]pyrazin-3-ylphenyl)cyclopropane-1,1-dicarboxamide;2-(3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylanilino)-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;1-N-(3-fluoro-4-imidazo[1,2-a]pyrazin-3-ylphenyl)-1-N'-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]cyclopropane-1,1-dicarboxamide;2-(4-imidazo[1,2-a]pyrazin-3-ylanilino)-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide;N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)acetamide
CID 167667485

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-amine;(1R,5S)-N-[1-(2-chlorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-ethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-fluorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(imidazo[1,2-b]pyridazin-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(3-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-amine;(1R,5S)-N-[1-(2-chlorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-ethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-fluorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(imidazo[1,2-b]pyridazin-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(3-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 157050463) is N-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-amine;(1R,5S)-N-[1-(2-chlorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-ethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-fluorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(imidazo[1,2-b]pyridazin-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(3-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-amine;(1R,5S)-N-[1-(2-chlorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-ethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-fluorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(imidazo[1,2-b]pyridazin-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(3-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-amine;(1R,5S)-N-[1-(2-chlorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-ethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-fluorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(imidazo[1,2-b]pyridazin-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(3-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is C=C(NC(C)(C)COc1ncccc1C)C1[C@H]2CNC[C@@H]12.CC(C)(COc1ccccc1Cl)NC(=O)C1[C@H]2CNC[C@@H]12.CC(C)(COc1ccccc1F)NC(=O)C1[C@H]2CNC[C@@H]12.CCc1ccccc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.Cc1cc(F)cnc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.Cc1cccc(OCC(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)c1.Cc1ccccc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.O=C(NCc1cnc2cccnn12)C1[C@H]2CNC[C@@H]12.
What is the InChIKey of N-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-amine;(1R,5S)-N-[1-(2-chlorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-ethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-fluorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(imidazo[1,2-b]pyridazin-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(3-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is AADIPEPTBNQKKF-VDCFCDHJSA-N. The full InChI is InChI=1S/C18H26N2O2.C17H25N3O.2C17H24N2O2.C16H21ClN2O2.C16H22FN3O2.C16H21FN2O2.C13H15N5O/c1-4-12-7-5-6-8-15(12)22-11-18(2,3)20-17(21)16-13-9-19-10-14(13)16;1-11-6-5-7-19-16(11)21-10-17(3,4)20-12(2)15-13-8-18-9-14(13)15;1-11-5-4-6-12(7-11)21-10-17(2,3)19-16(20)15-13-8-18-9-14(13)15;1-11-6-4-5-7-14(11)21-10-17(2,3)19-16(20)15-12-8-18-9-13(12)15;1-16(2,9-21-13-6-4-3-5-12(13)17)19-15(20)14-10-7-18-8-11(10)14;1-9-4-10(17)5-19-15(9)22-8-16(2,3)20-14(21)13-11-6-18-7-12(11)13;1-16(2,9-21-13-6-4-3-5-12(13)17)19-15(20)14-10-7-18-8-11(10)14;19-13(12-9-6-14-7-10(9)12)16-5-8-4-15-11-2-1-3-17-18(8)11/h5-8,13-14,16,19H,4,9-11H2,1-3H3,(H,20,21);5-7,13-15,18,20H,2,8-10H2,1,3-4H3;4-7,13-15,18H,8-10H2,1-3H3,(H,19,20);4-7,12-13,15,18H,8-10H2,1-3H3,(H,19,20);3-6,10-11,14,18H,7-9H2,1-2H3,(H,19,20);4-5,11-13,18H,6-8H2,1-3H3,(H,20,21);3-6,10-11,14,18H,7-9H2,1-2H3,(H,19,20);1-4,9-10,12,14H,5-7H2,(H,16,19)/t13-,14+,16?;2*13-,14+,15?;12-,13+,15?;10-,11+,14?;11-,12+,13?;10-,11+,14?;9-,10+,12?.
What are the key properties of N-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-amine;(1R,5S)-N-[1-(2-chlorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-ethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-fluorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(imidazo[1,2-b]pyridazin-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(3-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
N-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-amine;(1R,5S)-N-[1-(2-chlorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-ethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-fluorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(imidazo[1,2-b]pyridazin-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(3-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 2332.44 g/mol, XLogP of 12.29, 40 rotatable bonds, 16 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]ethenyl]-2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-amine;(1R,5S)-N-[1-(2-chlorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-ethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-fluorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(imidazo[1,2-b]pyridazin-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(3-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 157050463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).