5-[5-[(1S)-1-[[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[[2-[(3R)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[[2-[(3R)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile

C203H224N28O15S7 — CID 158062787

IUPAC5-[5-[(1S)-1-[[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[[2-[(3R)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[[2-[(3R)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile
SMILESCC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NCC(=O)N3CCCCC3)s2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NCC(=O)N3CCC[C@H](O)C3)s2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NCC(=O)N3CC[C@@H](C)C3)s2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NCC(=O)N3CC[C@H](C)C3)s2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@H]4NCC(=O)N3CCCCC3)s2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@H]4NCC(=O)N3CC[C@@H](C)C3)s2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@H]4NCC(=O)N3CC[C@H](C)C3)s2)cc1C#N
InChIInChI=1S/C29H32N4O3S.6C29H32N4O2S/c1-18(2)36-26-11-8-19(13-20(26)14-30)29-32-15-27(37-29)24-7-3-6-23-22(24)9-10-25(23)31-16-28(35)33-12-4-5-21(34)17-33;4*1-18(2)35-26-10-7-20(13-21(26)14-30)29-32-15-27(36-29)24-6-4-5-23-22(24)8-9-25(23)31-16-28(34)33-12-11-19(3)17-33;2*1-19(2)35-26-12-9-20(15-21(26)16-30)29-32-17-27(36-29)24-8-6-7-23-22(24)10-11-25(23)31-18-28(34)33-13-4-3-5-14-33/h3,6-8,11,13,15,18,21,25,31,34H,4-5,9-10,12,16-17H2,1-2H3;4*4-7,10,13,15,18-19,25,31H,8-9,11-12,16-17H2,1-3H3;2*6-9,12,15,17,19,25,31H,3-5,10-11,13-14,18H2,1-2H3/t21-,25-;2*19-,25+;2*19-,25-;2*25-/m0101010/s1
InChIKeyFKVUODCQFKVNOS-WWIBGCNGSA-N
MW3520.67 g/mol
LogP38.47
Rot. Bonds49

About 5-[5-[(1S)-1-[[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[[2-[(3R)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[[2-[(3R)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile

5-[5-[(1S)-1-[[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[[2-[(3R)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[[2-[(3R)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile (PubChem CID 158062787) has the molecular formula C203H224N28O15S7 and a molecular weight of 3520.67 g/mol. Its IUPAC name is 5-[5-[(1S)-1-[[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[[2-[(3R)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[[2-[(3R)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile.

Molecular Properties

Compound Name5-[5-[(1S)-1-[[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[[2-[(3R)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[[2-[(3R)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile
PubChem CID158062787
Molecular FormulaC203H224N28O15S7
Molecular Weight3520.67 g/mol
Exact Mass3517.57
IUPAC Name5-[5-[(1S)-1-[[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[[2-[(3R)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[[2-[(3R)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile
SMILESCC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NCC(=O)N3CCCCC3)s2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NCC(=O)N3CCC[C@H](O)C3)s2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NCC(=O)N3CC[C@@H](C)C3)s2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NCC(=O)N3CC[C@H](C)C3)s2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@H]4NCC(=O)N3CCCCC3)s2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@H]4NCC(=O)N3CC[C@@H](C)C3)s2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@H]4NCC(=O)N3CC[C@H](C)C3)s2)cc1C#N
InChIInChI=1S/C29H32N4O3S.6C29H32N4O2S/c1-18(2)36-26-11-8-19(13-20(26)14-30)29-32-15-27(37-29)24-7-3-6-23-22(24)9-10-25(23)31-16-28(35)33-12-4-5-21(34)17-33;4*1-18(2)35-26-10-7-20(13-21(26)14-30)29-32-15-27(36-29)24-6-4-5-23-22(24)8-9-25(23)31-16-28(34)33-12-11-19(3)17-33;2*1-19(2)35-26-12-9-20(15-21(26)16-30)29-32-17-27(36-29)24-8-6-7-23-22(24)10-11-25(23)31-18-28(34)33-13-4-3-5-14-33/h3,6-8,11,13,15,18,21,25,31,34H,4-5,9-10,12,16-17H2,1-2H3;4*4-7,10,13,15,18-19,25,31H,8-9,11-12,16-17H2,1-3H3;2*6-9,12,15,17,19,25,31H,3-5,10-11,13-14,18H2,1-2H3/t21-,25-;2*19-,25+;2*19-,25-;2*25-/m0101010/s1
InChIKeyFKVUODCQFKVNOS-WWIBGCNGSA-N
XLogP38.47
TPSA567.98 Ų
H-Bond Donors8
H-Bond Acceptors43
Rotatable Bonds49
Heavy Atoms253
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003520.67
LogP ≤ 538.47
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1043

Analyze 5-[5-[(1S)-1-[[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[[2-[(3R)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[[2-[(3R)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile with MolForge

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Related Compounds

5-[5-[(1S)-1-[(2-oxo-2-piperazin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile
CID 53233215
2-[[(1S)-4-[2-(3-amino-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 89215568
5-[5-[(1S)-1-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-(2-methylpropyl)benzonitrile
CID 139438194
1-(3-hydroxypyrrolidin-1-yl)-2-[[(1S)-4-[2-(3-isocyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanone
CID 140633483
3-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-1,1-dimethylurea;3-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-1,1-dimethylurea;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylazetidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylazetidine-1-carboxamide;(3R)-N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylpyrrolidine-1-carboxamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]pyrrolidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]pyrrolidine-1-carboxamide
CID 161032751
N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(3-hydroxypiperidin-1-yl)ethanesulfonamide
CID 67198153
(3S)-3-amino-N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]pyrrolidine-1-carboxamide
CID 53234097
(3R)-3-amino-N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]pyrrolidine-1-carboxamide;5-[5-[(1R)-1-[bis(2-methoxyethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;3-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]-1,1-dimethylurea;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-hydroxyazetidine-1-carboxamide;(3S)-N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3-hydroxypiperidine-1-carboxamide;5-[5-[(1S)-1-[[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile
CID 158693729
5-[3-[(1R)-1-[[2-[(3R)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
CID 58344824
5-[3-[(1R)-1-[[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
CID 58344864
(3R)-N-[[4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]methylidene]-3-hydroxypyrrolidine-1-carboxamide
CID 163943550
N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)piperidine-1-carboxamide
CID 58367116

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(1S)-1-[[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[[2-[(3R)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[[2-[(3R)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile?
The IUPAC name of 5-[5-[(1S)-1-[[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[[2-[(3R)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[[2-[(3R)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile (CID 158062787) is 5-[5-[(1S)-1-[[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[[2-[(3R)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[[2-[(3R)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile.
What is the SMILES notation for 5-[5-[(1S)-1-[[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[[2-[(3R)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[[2-[(3R)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile?
The canonical SMILES for 5-[5-[(1S)-1-[[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[[2-[(3R)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[[2-[(3R)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile is CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NCC(=O)N3CCCCC3)s2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NCC(=O)N3CCC[C@H](O)C3)s2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NCC(=O)N3CC[C@@H](C)C3)s2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NCC(=O)N3CC[C@H](C)C3)s2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@H]4NCC(=O)N3CCCCC3)s2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@H]4NCC(=O)N3CC[C@@H](C)C3)s2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@H]4NCC(=O)N3CC[C@H](C)C3)s2)cc1C#N.
What is the InChIKey of 5-[5-[(1S)-1-[[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[[2-[(3R)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[[2-[(3R)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile?
The InChIKey is FKVUODCQFKVNOS-WWIBGCNGSA-N. The full InChI is InChI=1S/C29H32N4O3S.6C29H32N4O2S/c1-18(2)36-26-11-8-19(13-20(26)14-30)29-32-15-27(37-29)24-7-3-6-23-22(24)9-10-25(23)31-16-28(35)33-12-4-5-21(34)17-33;4*1-18(2)35-26-10-7-20(13-21(26)14-30)29-32-15-27(36-29)24-6-4-5-23-22(24)8-9-25(23)31-16-28(34)33-12-11-19(3)17-33;2*1-19(2)35-26-12-9-20(15-21(26)16-30)29-32-17-27(36-29)24-8-6-7-23-22(24)10-11-25(23)31-18-28(34)33-13-4-3-5-14-33/h3,6-8,11,13,15,18,21,25,31,34H,4-5,9-10,12,16-17H2,1-2H3;4*4-7,10,13,15,18-19,25,31H,8-9,11-12,16-17H2,1-3H3;2*6-9,12,15,17,19,25,31H,3-5,10-11,13-14,18H2,1-2H3/t21-,25-;2*19-,25+;2*19-,25-;2*25-/m0101010/s1.
What are the key properties of 5-[5-[(1S)-1-[[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[[2-[(3R)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[[2-[(3R)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile?
5-[5-[(1S)-1-[[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[[2-[(3R)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[[2-[(3R)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile has a molecular weight of 3520.67 g/mol, XLogP of 38.47, 49 rotatable bonds, 8 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(1S)-1-[[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[[2-[(3R)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[[2-[(3R)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzonitrile is sourced from PubChem (CID 158062787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).