2-[4-[2-[1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-3-yl)propan-2-one;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)oxypropan-2-one;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(1-methylpyrrol-3-yl)propan-2-one;2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]-4-fluorocyclohexyl]-1-(2-methylindazol-4-yl)ethanone

C138H179F3N18O11 — CID 167685484

IUPAC2-[4-[2-[1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-3-yl)propan-2-one;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)oxypropan-2-one;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(1-methylpyrrol-3-yl)propan-2-one;2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]-4-fluorocyclohexyl]-1-(2-methylindazol-4-yl)ethanone
SMILESCc1ncc(OCC(=O)CC2CCC(CCN3C[C@@H]4C[C@]4(c4cc(C5CC5)on4)C3)CC2)cn1.Cn1cc2c(C(=O)CC3CCC(F)(CCN4C[C@@H]5C[C@]5(c5cc(C(C)(F)F)on5)C4)CC3)cccc2n1.Cn1cc2cccc(C(=O)CC3CCC(CCN4CC5CC5(c5cc(C6CC6)on5)C4)CC3)c2c1.Cn1ccc(CC(=O)CC2CCC(CCN3C[C@@H]4C[C@]4(c4cc(C5CC5)on4)C3)CC2)c1.Cn1ccc(CC(=O)CC2CCC(CCN3C[C@@H]4C[C@]4(c4cc(C5CC5)on4)C3)CC2)n1
InChIInChI=1S/C30H37N3O2.C28H33F3N4O2.C27H36N4O3.C27H37N3O2.C26H36N4O2/c1-32-16-23-3-2-4-25(26(23)18-32)27(34)13-21-7-5-20(6-8-21)11-12-33-17-24-15-30(24,19-33)29-14-28(35-31-29)22-9-10-22;1-26(29,30)25-13-24(33-37-25)28-14-19(28)15-35(17-28)11-10-27(31)8-6-18(7-9-27)12-23(36)20-4-3-5-22-21(20)16-34(2)32-22;1-18-28-13-24(14-29-18)33-16-23(32)10-20-4-2-19(3-5-20)8-9-31-15-22-12-27(22,17-31)26-11-25(34-30-26)21-6-7-21;1-29-10-8-21(16-29)13-24(31)12-20-4-2-19(3-5-20)9-11-30-17-23-15-27(23,18-30)26-14-25(32-28-26)22-6-7-22;1-29-10-9-22(27-29)13-23(31)12-19-4-2-18(3-5-19)8-11-30-16-21-15-26(21,17-30)25-14-24(32-28-25)20-6-7-20/h2-4,14,16,18,20-22,24H,5-13,15,17,19H2,1H3;3-5,13,16,18-19H,6-12,14-15,17H2,1-2H3;11,13-14,19-22H,2-10,12,15-17H2,1H3;8,10,14,16,19-20,22-23H,2-7,9,11-13,15,17-18H2,1H3;9-10,14,18-21H,2-8,11-13,15-17H2,1H3/t;18?,19-,27?,28-;19?,20?,22-,27-;19?,20?,23-,27-;18?,19?,21-,26-/m.0000/s1
InChIKeyWDNSWMWWNHCVJD-QHEXGJGHSA-N
MW2323.06 g/mol
LogP25.47
Rot. Bonds44

About 2-[4-[2-[1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-3-yl)propan-2-one;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)oxypropan-2-one;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(1-methylpyrrol-3-yl)propan-2-one;2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]-4-fluorocyclohexyl]-1-(2-methylindazol-4-yl)ethanone

2-[4-[2-[1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-3-yl)propan-2-one;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)oxypropan-2-one;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(1-methylpyrrol-3-yl)propan-2-one;2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]-4-fluorocyclohexyl]-1-(2-methylindazol-4-yl)ethanone (PubChem CID 167685484) has the molecular formula C138H179F3N18O11 and a molecular weight of 2323.06 g/mol. Its IUPAC name is 2-[4-[2-[1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-3-yl)propan-2-one;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)oxypropan-2-one;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(1-methylpyrrol-3-yl)propan-2-one;2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]-4-fluorocyclohexyl]-1-(2-methylindazol-4-yl)ethanone.

Molecular Properties

Compound Name2-[4-[2-[1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-3-yl)propan-2-one;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)oxypropan-2-one;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(1-methylpyrrol-3-yl)propan-2-one;2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]-4-fluorocyclohexyl]-1-(2-methylindazol-4-yl)ethanone
PubChem CID167685484
Molecular FormulaC138H179F3N18O11
Molecular Weight2323.06 g/mol
Exact Mass2321.40
IUPAC Name2-[4-[2-[1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-3-yl)propan-2-one;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)oxypropan-2-one;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(1-methylpyrrol-3-yl)propan-2-one;2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]-4-fluorocyclohexyl]-1-(2-methylindazol-4-yl)ethanone
SMILESCc1ncc(OCC(=O)CC2CCC(CCN3C[C@@H]4C[C@]4(c4cc(C5CC5)on4)C3)CC2)cn1.Cn1cc2c(C(=O)CC3CCC(F)(CCN4C[C@@H]5C[C@]5(c5cc(C(C)(F)F)on5)C4)CC3)cccc2n1.Cn1cc2cccc(C(=O)CC3CCC(CCN4CC5CC5(c5cc(C6CC6)on5)C4)CC3)c2c1.Cn1ccc(CC(=O)CC2CCC(CCN3C[C@@H]4C[C@]4(c4cc(C5CC5)on4)C3)CC2)c1.Cn1ccc(CC(=O)CC2CCC(CCN3C[C@@H]4C[C@]4(c4cc(C5CC5)on4)C3)CC2)n1
InChIInChI=1S/C30H37N3O2.C28H33F3N4O2.C27H36N4O3.C27H37N3O2.C26H36N4O2/c1-32-16-23-3-2-4-25(26(23)18-32)27(34)13-21-7-5-20(6-8-21)11-12-33-17-24-15-30(24,19-33)29-14-28(35-31-29)22-9-10-22;1-26(29,30)25-13-24(33-37-25)28-14-19(28)15-35(17-28)11-10-27(31)8-6-18(7-9-27)12-23(36)20-4-3-5-22-21(20)16-34(2)32-22;1-18-28-13-24(14-29-18)33-16-23(32)10-20-4-2-19(3-5-20)8-9-31-15-22-12-27(22,17-31)26-11-25(34-30-26)21-6-7-21;1-29-10-8-21(16-29)13-24(31)12-20-4-2-19(3-5-20)9-11-30-17-23-15-27(23,18-30)26-14-25(32-28-26)22-6-7-22;1-29-10-9-22(27-29)13-23(31)12-19-4-2-18(3-5-19)8-11-30-16-21-15-26(21,17-30)25-14-24(32-28-25)20-6-7-20/h2-4,14,16,18,20-22,24H,5-13,15,17,19H2,1H3;3-5,13,16,18-19H,6-12,14-15,17H2,1-2H3;11,13-14,19-22H,2-10,12,15-17H2,1H3;8,10,14,16,19-20,22-23H,2-7,9,11-13,15,17-18H2,1H3;9-10,14,18-21H,2-8,11-13,15-17H2,1H3/t;18?,19-,27?,28-;19?,20?,22-,27-;19?,20?,23-,27-;18?,19?,21-,26-/m.0000/s1
InChIKeyWDNSWMWWNHCVJD-QHEXGJGHSA-N
XLogP25.47
TPSA312.21 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds44
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002323.06
LogP ≤ 525.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 2-[4-[2-[1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-3-yl)propan-2-one;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)oxypropan-2-one;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(1-methylpyrrol-3-yl)propan-2-one;2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]-4-fluorocyclohexyl]-1-(2-methylindazol-4-yl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

3-(1-Benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-4-yl)oxypropan-1-ol;3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-5-yl)oxypropan-1-ol;3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-6-yl)oxypropan-1-ol;2-tert-butyl-1-(cyclohexylmethyl)pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-(2-phenylethyl)pyrrolo[2,3-b]pyridine;4-[(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
CID 158421887
6-[2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]acetyl]-1-ethylpyridin-2-one;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)propan-2-one;2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-1-(2-methylphenyl)ethanone;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)oxypropan-2-one;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methyltriazol-4-yl)propan-2-one
CID 167536304
(1S,5R)-N-[2-(1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-benzylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-methylindazol-3-yl)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;(1R,5S)-N-[2-methyl-1-[(2-methyl-3-pyridinyl)oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 161375517

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-3-yl)propan-2-one;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)oxypropan-2-one;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(1-methylpyrrol-3-yl)propan-2-one;2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]-4-fluorocyclohexyl]-1-(2-methylindazol-4-yl)ethanone?
The IUPAC name of 2-[4-[2-[1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-3-yl)propan-2-one;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)oxypropan-2-one;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(1-methylpyrrol-3-yl)propan-2-one;2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]-4-fluorocyclohexyl]-1-(2-methylindazol-4-yl)ethanone (CID 167685484) is 2-[4-[2-[1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-3-yl)propan-2-one;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)oxypropan-2-one;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(1-methylpyrrol-3-yl)propan-2-one;2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]-4-fluorocyclohexyl]-1-(2-methylindazol-4-yl)ethanone.
What is the SMILES notation for 2-[4-[2-[1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-3-yl)propan-2-one;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)oxypropan-2-one;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(1-methylpyrrol-3-yl)propan-2-one;2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]-4-fluorocyclohexyl]-1-(2-methylindazol-4-yl)ethanone?
The canonical SMILES for 2-[4-[2-[1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-3-yl)propan-2-one;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)oxypropan-2-one;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(1-methylpyrrol-3-yl)propan-2-one;2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]-4-fluorocyclohexyl]-1-(2-methylindazol-4-yl)ethanone is Cc1ncc(OCC(=O)CC2CCC(CCN3C[C@@H]4C[C@]4(c4cc(C5CC5)on4)C3)CC2)cn1.Cn1cc2c(C(=O)CC3CCC(F)(CCN4C[C@@H]5C[C@]5(c5cc(C(C)(F)F)on5)C4)CC3)cccc2n1.Cn1cc2cccc(C(=O)CC3CCC(CCN4CC5CC5(c5cc(C6CC6)on5)C4)CC3)c2c1.Cn1ccc(CC(=O)CC2CCC(CCN3C[C@@H]4C[C@]4(c4cc(C5CC5)on4)C3)CC2)c1.Cn1ccc(CC(=O)CC2CCC(CCN3C[C@@H]4C[C@]4(c4cc(C5CC5)on4)C3)CC2)n1.
What is the InChIKey of 2-[4-[2-[1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-3-yl)propan-2-one;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)oxypropan-2-one;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(1-methylpyrrol-3-yl)propan-2-one;2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]-4-fluorocyclohexyl]-1-(2-methylindazol-4-yl)ethanone?
The InChIKey is WDNSWMWWNHCVJD-QHEXGJGHSA-N. The full InChI is InChI=1S/C30H37N3O2.C28H33F3N4O2.C27H36N4O3.C27H37N3O2.C26H36N4O2/c1-32-16-23-3-2-4-25(26(23)18-32)27(34)13-21-7-5-20(6-8-21)11-12-33-17-24-15-30(24,19-33)29-14-28(35-31-29)22-9-10-22;1-26(29,30)25-13-24(33-37-25)28-14-19(28)15-35(17-28)11-10-27(31)8-6-18(7-9-27)12-23(36)20-4-3-5-22-21(20)16-34(2)32-22;1-18-28-13-24(14-29-18)33-16-23(32)10-20-4-2-19(3-5-20)8-9-31-15-22-12-27(22,17-31)26-11-25(34-30-26)21-6-7-21;1-29-10-8-21(16-29)13-24(31)12-20-4-2-19(3-5-20)9-11-30-17-23-15-27(23,18-30)26-14-25(32-28-26)22-6-7-22;1-29-10-9-22(27-29)13-23(31)12-19-4-2-18(3-5-19)8-11-30-16-21-15-26(21,17-30)25-14-24(32-28-25)20-6-7-20/h2-4,14,16,18,20-22,24H,5-13,15,17,19H2,1H3;3-5,13,16,18-19H,6-12,14-15,17H2,1-2H3;11,13-14,19-22H,2-10,12,15-17H2,1H3;8,10,14,16,19-20,22-23H,2-7,9,11-13,15,17-18H2,1H3;9-10,14,18-21H,2-8,11-13,15-17H2,1H3/t;18?,19-,27?,28-;19?,20?,22-,27-;19?,20?,23-,27-;18?,19?,21-,26-/m.0000/s1.
What are the key properties of 2-[4-[2-[1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-3-yl)propan-2-one;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)oxypropan-2-one;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(1-methylpyrrol-3-yl)propan-2-one;2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]-4-fluorocyclohexyl]-1-(2-methylindazol-4-yl)ethanone?
2-[4-[2-[1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-3-yl)propan-2-one;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)oxypropan-2-one;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(1-methylpyrrol-3-yl)propan-2-one;2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]-4-fluorocyclohexyl]-1-(2-methylindazol-4-yl)ethanone has a molecular weight of 2323.06 g/mol, XLogP of 25.47, 44 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-3-yl)propan-2-one;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)oxypropan-2-one;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(1-methylpyrrol-3-yl)propan-2-one;2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]-4-fluorocyclohexyl]-1-(2-methylindazol-4-yl)ethanone is sourced from PubChem (CID 167685484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).