N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)piperidine-1-carboxamide;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)piperidine-1-carboxamide;3-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,1-dimethylurea;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;5-[3-[(1S)-1-[[2-(dimethylamino)-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzamide;2-propan-2-yloxy-5-[3-[(1S)-1-[[(2R,3R,4R)-2,3,4-trihydroxyhexyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile

C156H176N30O22S — CID 157387229

IUPACN-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)piperidine-1-carboxamide;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)piperidine-1-carboxamide;3-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,1-dimethylurea;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;5-[3-[(1S)-1-[[2-(dimethylamino)-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzamide;2-propan-2-yloxy-5-[3-[(1S)-1-[[(2R,3R,4R)-2,3,4-trihydroxyhexyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N(C)C)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CCC(N(C)C)CC3)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCC(=O)N(C)C)no2)cc1C(N)=O.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)N3CCC(N(C)C)CC3)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(C)(=O)=O)no2)cc1C#N.CC[C@@H](O)[C@@H](O)[C@H](O)CN[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21
InChIInChI=1S/2C29H34N6O3.C27H32N4O5.C25H29N5O4.C24H25N5O3.C22H22N4O4S/c2*1-18(2)37-26-11-8-19(16-20(26)17-30)28-32-27(33-38-28)24-7-5-6-23-22(24)9-10-25(23)31-29(36)35-14-12-21(13-15-35)34(3)4;1-4-22(32)25(34)23(33)14-29-21-10-9-18-19(21)6-5-7-20(18)26-30-27(36-31-26)16-8-11-24(35-15(2)3)17(12-16)13-28;1-14(2)33-21-11-8-15(12-19(21)23(26)32)25-28-24(29-34-25)18-7-5-6-17-16(18)9-10-20(17)27-13-22(31)30(3)4;1-14(2)31-21-11-8-15(12-16(21)13-25)23-27-22(28-32-23)19-7-5-6-18-17(19)9-10-20(18)26-24(30)29(3)4;1-13(2)29-20-10-7-14(11-15(20)12-23)22-24-21(25-30-22)18-6-4-5-17-16(18)8-9-19(17)26-31(3,27)28/h2*5-8,11,16,18,21,25H,9-10,12-15H2,1-4H3,(H,31,36);5-8,11-12,15,21-23,25,29,32-34H,4,9-10,14H2,1-3H3;5-8,11-12,14,20,27H,9-10,13H2,1-4H3,(H2,26,32);5-8,11-12,14,20H,9-10H2,1-4H3,(H,26,30);4-7,10-11,13,19,26H,8-9H2,1-3H3/t2*25-;21-,22+,23+,25+;2*20-;19-/m100001/s1
InChIKeyBLOQXJLTAFVUOZ-DLEOTRGBSA-N
MW2855.38 g/mol
LogP23.58
Rot. Bonds41

About N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)piperidine-1-carboxamide;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)piperidine-1-carboxamide;3-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,1-dimethylurea;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;5-[3-[(1S)-1-[[2-(dimethylamino)-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzamide;2-propan-2-yloxy-5-[3-[(1S)-1-[[(2R,3R,4R)-2,3,4-trihydroxyhexyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile

N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)piperidine-1-carboxamide;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)piperidine-1-carboxamide;3-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,1-dimethylurea;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;5-[3-[(1S)-1-[[2-(dimethylamino)-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzamide;2-propan-2-yloxy-5-[3-[(1S)-1-[[(2R,3R,4R)-2,3,4-trihydroxyhexyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile (PubChem CID 157387229) has the molecular formula C156H176N30O22S and a molecular weight of 2855.38 g/mol. Its IUPAC name is N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)piperidine-1-carboxamide;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)piperidine-1-carboxamide;3-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,1-dimethylurea;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;5-[3-[(1S)-1-[[2-(dimethylamino)-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzamide;2-propan-2-yloxy-5-[3-[(1S)-1-[[(2R,3R,4R)-2,3,4-trihydroxyhexyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile.

Molecular Properties

Compound NameN-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)piperidine-1-carboxamide;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)piperidine-1-carboxamide;3-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,1-dimethylurea;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;5-[3-[(1S)-1-[[2-(dimethylamino)-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzamide;2-propan-2-yloxy-5-[3-[(1S)-1-[[(2R,3R,4R)-2,3,4-trihydroxyhexyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile
PubChem CID157387229
Molecular FormulaC156H176N30O22S
Molecular Weight2855.38 g/mol
Exact Mass2853.33
IUPAC NameN-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)piperidine-1-carboxamide;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)piperidine-1-carboxamide;3-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,1-dimethylurea;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;5-[3-[(1S)-1-[[2-(dimethylamino)-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzamide;2-propan-2-yloxy-5-[3-[(1S)-1-[[(2R,3R,4R)-2,3,4-trihydroxyhexyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N(C)C)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CCC(N(C)C)CC3)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCC(=O)N(C)C)no2)cc1C(N)=O.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)N3CCC(N(C)C)CC3)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(C)(=O)=O)no2)cc1C#N.CC[C@@H](O)[C@@H](O)[C@H](O)CN[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21
InChIInChI=1S/2C29H34N6O3.C27H32N4O5.C25H29N5O4.C24H25N5O3.C22H22N4O4S/c2*1-18(2)37-26-11-8-19(16-20(26)17-30)28-32-27(33-38-28)24-7-5-6-23-22(24)9-10-25(23)31-29(36)35-14-12-21(13-15-35)34(3)4;1-4-22(32)25(34)23(33)14-29-21-10-9-18-19(21)6-5-7-20(18)26-30-27(36-31-26)16-8-11-24(35-15(2)3)17(12-16)13-28;1-14(2)33-21-11-8-15(12-19(21)23(26)32)25-28-24(29-34-25)18-7-5-6-17-16(18)9-10-20(17)27-13-22(31)30(3)4;1-14(2)31-21-11-8-15(12-16(21)13-25)23-27-22(28-32-23)19-7-5-6-18-17(19)9-10-20(18)26-24(30)29(3)4;1-13(2)29-20-10-7-14(11-15(20)12-23)22-24-21(25-30-22)18-6-4-5-17-16(18)8-9-19(17)26-31(3,27)28/h2*5-8,11,16,18,21,25H,9-10,12-15H2,1-4H3,(H,31,36);5-8,11-12,15,21-23,25,29,32-34H,4,9-10,14H2,1-3H3;5-8,11-12,14,20,27H,9-10,13H2,1-4H3,(H2,26,32);5-8,11-12,14,20H,9-10H2,1-4H3,(H,26,30);4-7,10-11,13,19,26H,8-9H2,1-3H3/t2*25-;21-,22+,23+,25+;2*20-;19-/m100001/s1
InChIKeyBLOQXJLTAFVUOZ-DLEOTRGBSA-N
XLogP23.58
TPSA705.67 Ų
H-Bond Donors10
H-Bond Acceptors43
Rotatable Bonds41
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002855.38
LogP ≤ 523.58
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1043

Analyze N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)piperidine-1-carboxamide;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)piperidine-1-carboxamide;3-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,1-dimethylurea;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;5-[3-[(1S)-1-[[2-(dimethylamino)-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzamide;2-propan-2-yloxy-5-[3-[(1S)-1-[[(2R,3R,4R)-2,3,4-trihydroxyhexyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)piperidine-1-carboxamide;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)piperidine-1-carboxamide;3-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,1-dimethylurea;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;5-[3-[(1S)-1-[[2-(dimethylamino)-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzamide;2-propan-2-yloxy-5-[3-[(1S)-1-[[(2R,3R,4R)-2,3,4-trihydroxyhexyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile?
The IUPAC name of N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)piperidine-1-carboxamide;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)piperidine-1-carboxamide;3-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,1-dimethylurea;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;5-[3-[(1S)-1-[[2-(dimethylamino)-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzamide;2-propan-2-yloxy-5-[3-[(1S)-1-[[(2R,3R,4R)-2,3,4-trihydroxyhexyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile (CID 157387229) is N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)piperidine-1-carboxamide;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)piperidine-1-carboxamide;3-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,1-dimethylurea;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;5-[3-[(1S)-1-[[2-(dimethylamino)-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzamide;2-propan-2-yloxy-5-[3-[(1S)-1-[[(2R,3R,4R)-2,3,4-trihydroxyhexyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile.
What is the SMILES notation for N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)piperidine-1-carboxamide;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)piperidine-1-carboxamide;3-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,1-dimethylurea;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;5-[3-[(1S)-1-[[2-(dimethylamino)-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzamide;2-propan-2-yloxy-5-[3-[(1S)-1-[[(2R,3R,4R)-2,3,4-trihydroxyhexyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile?
The canonical SMILES for N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)piperidine-1-carboxamide;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)piperidine-1-carboxamide;3-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,1-dimethylurea;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;5-[3-[(1S)-1-[[2-(dimethylamino)-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzamide;2-propan-2-yloxy-5-[3-[(1S)-1-[[(2R,3R,4R)-2,3,4-trihydroxyhexyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile is CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N(C)C)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CCC(N(C)C)CC3)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCC(=O)N(C)C)no2)cc1C(N)=O.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)N3CCC(N(C)C)CC3)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(C)(=O)=O)no2)cc1C#N.CC[C@@H](O)[C@@H](O)[C@H](O)CN[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21.
What is the InChIKey of N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)piperidine-1-carboxamide;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)piperidine-1-carboxamide;3-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,1-dimethylurea;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;5-[3-[(1S)-1-[[2-(dimethylamino)-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzamide;2-propan-2-yloxy-5-[3-[(1S)-1-[[(2R,3R,4R)-2,3,4-trihydroxyhexyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile?
The InChIKey is BLOQXJLTAFVUOZ-DLEOTRGBSA-N. The full InChI is InChI=1S/2C29H34N6O3.C27H32N4O5.C25H29N5O4.C24H25N5O3.C22H22N4O4S/c2*1-18(2)37-26-11-8-19(16-20(26)17-30)28-32-27(33-38-28)24-7-5-6-23-22(24)9-10-25(23)31-29(36)35-14-12-21(13-15-35)34(3)4;1-4-22(32)25(34)23(33)14-29-21-10-9-18-19(21)6-5-7-20(18)26-30-27(36-31-26)16-8-11-24(35-15(2)3)17(12-16)13-28;1-14(2)33-21-11-8-15(12-19(21)23(26)32)25-28-24(29-34-25)18-7-5-6-17-16(18)9-10-20(17)27-13-22(31)30(3)4;1-14(2)31-21-11-8-15(12-16(21)13-25)23-27-22(28-32-23)19-7-5-6-18-17(19)9-10-20(18)26-24(30)29(3)4;1-13(2)29-20-10-7-14(11-15(20)12-23)22-24-21(25-30-22)18-6-4-5-17-16(18)8-9-19(17)26-31(3,27)28/h2*5-8,11,16,18,21,25H,9-10,12-15H2,1-4H3,(H,31,36);5-8,11-12,15,21-23,25,29,32-34H,4,9-10,14H2,1-3H3;5-8,11-12,14,20,27H,9-10,13H2,1-4H3,(H2,26,32);5-8,11-12,14,20H,9-10H2,1-4H3,(H,26,30);4-7,10-11,13,19,26H,8-9H2,1-3H3/t2*25-;21-,22+,23+,25+;2*20-;19-/m100001/s1.
What are the key properties of N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)piperidine-1-carboxamide;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)piperidine-1-carboxamide;3-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,1-dimethylurea;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;5-[3-[(1S)-1-[[2-(dimethylamino)-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzamide;2-propan-2-yloxy-5-[3-[(1S)-1-[[(2R,3R,4R)-2,3,4-trihydroxyhexyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile?
N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)piperidine-1-carboxamide;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)piperidine-1-carboxamide;3-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,1-dimethylurea;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;5-[3-[(1S)-1-[[2-(dimethylamino)-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzamide;2-propan-2-yloxy-5-[3-[(1S)-1-[[(2R,3R,4R)-2,3,4-trihydroxyhexyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile has a molecular weight of 2855.38 g/mol, XLogP of 23.58, 41 rotatable bonds, 10 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)piperidine-1-carboxamide;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)piperidine-1-carboxamide;3-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,1-dimethylurea;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;5-[3-[(1S)-1-[[2-(dimethylamino)-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzamide;2-propan-2-yloxy-5-[3-[(1S)-1-[[(2R,3R,4R)-2,3,4-trihydroxyhexyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile is sourced from PubChem (CID 157387229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).