5-[5-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-fluorobenzonitrile;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)acetamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethanesulfonamide;5-[5-[(1S)-1-(2-methoxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;methyl 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]acetate;5-[5-[(1S)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile

C151H159FN24O12S7 — CID 159926120

IUPAC5-[5-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-fluorobenzonitrile;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)acetamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethanesulfonamide;5-[5-[(1S)-1-(2-methoxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;methyl 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]acetate;5-[5-[(1S)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile
SMILESCC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@H]4NC(=O)CN(C)C)s2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CCN3CC[C@@H](N(C)C)C3)s2)cc1C#N.CC(C)Oc1ccc(-c2nnc(-c3cccc4c3CC[C@@H]4NCC(=O)N3CCCC3)s2)cc1C#N.COC(=O)CN[C@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.COCCN[C@H]1CCc2c(-c3nnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.N#Cc1cc(-c2ncc(-c3cccc4c3CC[C@H]4N)s2)ccc1F
InChIInChI=1S/C30H37N5O3S2.C27H29N5O2S.C26H28N4O2S.C25H25N3O3S.C24H26N4O2S.C19H14FN3S/c1-20(2)38-28-11-8-21(16-22(28)17-31)30-32-18-29(39-30)26-7-5-6-25-24(26)9-10-27(25)33-40(36,37)15-14-35-13-12-23(19-35)34(3)4;1-17(2)34-24-11-8-18(14-19(24)15-28)26-30-31-27(35-26)22-7-5-6-21-20(22)9-10-23(21)29-16-25(33)32-12-3-4-13-32;1-16(2)32-23-11-8-17(12-18(23)13-27)26-28-14-24(33-26)21-7-5-6-20-19(21)9-10-22(20)29-25(31)15-30(3)4;1-15(2)31-22-10-7-16(11-17(22)12-26)25-28-13-23(32-25)20-6-4-5-19-18(20)8-9-21(19)27-14-24(29)30-3;1-15(2)30-22-10-7-16(13-17(22)14-25)23-27-28-24(31-23)20-6-4-5-19-18(20)8-9-21(19)26-11-12-29-3;20-16-6-4-11(8-12(16)9-21)19-23-10-18(24-19)15-3-1-2-14-13(15)5-7-17(14)22/h5-8,11,16,18,20,23,27,33H,9-10,12-15,19H2,1-4H3;5-8,11,14,17,23,29H,3-4,9-10,12-13,16H2,1-2H3;5-8,11-12,14,16,22H,9-10,15H2,1-4H3,(H,29,31);4-7,10-11,13,15,21,27H,8-9,14H2,1-3H3;4-7,10,13,15,21,26H,8-9,11-12H2,1-3H3;1-4,6,8,10,17H,5,7,22H2/t23-,27-;23-;22-;2*21-;17-/m101001/s1
InChIKeyNZAMIQDILXAWIZ-CXTXFENBSA-N
MW2745.56 g/mol
LogP28.28
Rot. Bonds41

About 5-[5-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-fluorobenzonitrile;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)acetamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethanesulfonamide;5-[5-[(1S)-1-(2-methoxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;methyl 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]acetate;5-[5-[(1S)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile

5-[5-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-fluorobenzonitrile;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)acetamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethanesulfonamide;5-[5-[(1S)-1-(2-methoxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;methyl 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]acetate;5-[5-[(1S)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile (PubChem CID 159926120) has the molecular formula C151H159FN24O12S7 and a molecular weight of 2745.56 g/mol. Its IUPAC name is 5-[5-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-fluorobenzonitrile;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)acetamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethanesulfonamide;5-[5-[(1S)-1-(2-methoxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;methyl 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]acetate;5-[5-[(1S)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile.

Molecular Properties

Compound Name5-[5-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-fluorobenzonitrile;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)acetamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethanesulfonamide;5-[5-[(1S)-1-(2-methoxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;methyl 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]acetate;5-[5-[(1S)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile
PubChem CID159926120
Molecular FormulaC151H159FN24O12S7
Molecular Weight2745.56 g/mol
Exact Mass2743.06
IUPAC Name5-[5-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-fluorobenzonitrile;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)acetamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethanesulfonamide;5-[5-[(1S)-1-(2-methoxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;methyl 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]acetate;5-[5-[(1S)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile
SMILESCC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@H]4NC(=O)CN(C)C)s2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CCN3CC[C@@H](N(C)C)C3)s2)cc1C#N.CC(C)Oc1ccc(-c2nnc(-c3cccc4c3CC[C@@H]4NCC(=O)N3CCCC3)s2)cc1C#N.COC(=O)CN[C@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.COCCN[C@H]1CCc2c(-c3nnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.N#Cc1cc(-c2ncc(-c3cccc4c3CC[C@H]4N)s2)ccc1F
InChIInChI=1S/C30H37N5O3S2.C27H29N5O2S.C26H28N4O2S.C25H25N3O3S.C24H26N4O2S.C19H14FN3S/c1-20(2)38-28-11-8-21(16-22(28)17-31)30-32-18-29(39-30)26-7-5-6-25-24(26)9-10-27(25)33-40(36,37)15-14-35-13-12-23(19-35)34(3)4;1-17(2)34-24-11-8-18(14-19(24)15-28)26-30-31-27(35-26)22-7-5-6-21-20(22)9-10-23(21)29-16-25(33)32-12-3-4-13-32;1-16(2)32-23-11-8-17(12-18(23)13-27)26-28-14-24(33-26)21-7-5-6-20-19(21)9-10-22(20)29-25(31)15-30(3)4;1-15(2)31-22-10-7-16(11-17(22)12-26)25-28-13-23(32-25)20-6-4-5-19-18(20)8-9-21(19)27-14-24(29)30-3;1-15(2)30-22-10-7-16(13-17(22)14-25)23-27-28-24(31-23)20-6-4-5-19-18(20)8-9-21(19)26-11-12-29-3;20-16-6-4-11(8-12(16)9-21)19-23-10-18(24-19)15-3-1-2-14-13(15)5-7-17(14)22/h5-8,11,16,18,20,23,27,33H,9-10,12-15,19H2,1-4H3;5-8,11,14,17,23,29H,3-4,9-10,12-13,16H2,1-2H3;5-8,11-12,14,16,22H,9-10,15H2,1-4H3,(H,29,31);4-7,10-11,13,15,21,27H,8-9,14H2,1-3H3;4-7,10,13,15,21,26H,8-9,11-12H2,1-3H3;1-4,6,8,10,17H,5,7,22H2/t23-,27-;23-;22-;2*21-;17-/m101001/s1
InChIKeyNZAMIQDILXAWIZ-CXTXFENBSA-N
XLogP28.28
TPSA494.95 Ų
H-Bond Donors6
H-Bond Acceptors39
Rotatable Bonds41
Heavy Atoms195
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002745.56
LogP ≤ 528.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[5-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-fluorobenzonitrile;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)acetamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethanesulfonamide;5-[5-[(1S)-1-(2-methoxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;methyl 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]acetate;5-[5-[(1S)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-fluorobenzonitrile;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)acetamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethanesulfonamide;5-[5-[(1S)-1-(2-methoxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;methyl 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]acetate;5-[5-[(1S)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile?
The IUPAC name of 5-[5-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-fluorobenzonitrile;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)acetamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethanesulfonamide;5-[5-[(1S)-1-(2-methoxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;methyl 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]acetate;5-[5-[(1S)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile (CID 159926120) is 5-[5-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-fluorobenzonitrile;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)acetamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethanesulfonamide;5-[5-[(1S)-1-(2-methoxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;methyl 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]acetate;5-[5-[(1S)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile.
What is the SMILES notation for 5-[5-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-fluorobenzonitrile;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)acetamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethanesulfonamide;5-[5-[(1S)-1-(2-methoxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;methyl 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]acetate;5-[5-[(1S)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile?
The canonical SMILES for 5-[5-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-fluorobenzonitrile;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)acetamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethanesulfonamide;5-[5-[(1S)-1-(2-methoxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;methyl 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]acetate;5-[5-[(1S)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile is CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@H]4NC(=O)CN(C)C)s2)cc1C#N.CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CCN3CC[C@@H](N(C)C)C3)s2)cc1C#N.CC(C)Oc1ccc(-c2nnc(-c3cccc4c3CC[C@@H]4NCC(=O)N3CCCC3)s2)cc1C#N.COC(=O)CN[C@H]1CCc2c(-c3cnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.COCCN[C@H]1CCc2c(-c3nnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.N#Cc1cc(-c2ncc(-c3cccc4c3CC[C@H]4N)s2)ccc1F.
What is the InChIKey of 5-[5-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-fluorobenzonitrile;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)acetamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethanesulfonamide;5-[5-[(1S)-1-(2-methoxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;methyl 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]acetate;5-[5-[(1S)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile?
The InChIKey is NZAMIQDILXAWIZ-CXTXFENBSA-N. The full InChI is InChI=1S/C30H37N5O3S2.C27H29N5O2S.C26H28N4O2S.C25H25N3O3S.C24H26N4O2S.C19H14FN3S/c1-20(2)38-28-11-8-21(16-22(28)17-31)30-32-18-29(39-30)26-7-5-6-25-24(26)9-10-27(25)33-40(36,37)15-14-35-13-12-23(19-35)34(3)4;1-17(2)34-24-11-8-18(14-19(24)15-28)26-30-31-27(35-26)22-7-5-6-21-20(22)9-10-23(21)29-16-25(33)32-12-3-4-13-32;1-16(2)32-23-11-8-17(12-18(23)13-27)26-28-14-24(33-26)21-7-5-6-20-19(21)9-10-22(20)29-25(31)15-30(3)4;1-15(2)31-22-10-7-16(11-17(22)12-26)25-28-13-23(32-25)20-6-4-5-19-18(20)8-9-21(19)27-14-24(29)30-3;1-15(2)30-22-10-7-16(13-17(22)14-25)23-27-28-24(31-23)20-6-4-5-19-18(20)8-9-21(19)26-11-12-29-3;20-16-6-4-11(8-12(16)9-21)19-23-10-18(24-19)15-3-1-2-14-13(15)5-7-17(14)22/h5-8,11,16,18,20,23,27,33H,9-10,12-15,19H2,1-4H3;5-8,11,14,17,23,29H,3-4,9-10,12-13,16H2,1-2H3;5-8,11-12,14,16,22H,9-10,15H2,1-4H3,(H,29,31);4-7,10-11,13,15,21,27H,8-9,14H2,1-3H3;4-7,10,13,15,21,26H,8-9,11-12H2,1-3H3;1-4,6,8,10,17H,5,7,22H2/t23-,27-;23-;22-;2*21-;17-/m101001/s1.
What are the key properties of 5-[5-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-fluorobenzonitrile;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)acetamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethanesulfonamide;5-[5-[(1S)-1-(2-methoxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;methyl 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]acetate;5-[5-[(1S)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile?
5-[5-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-fluorobenzonitrile;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)acetamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethanesulfonamide;5-[5-[(1S)-1-(2-methoxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;methyl 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]acetate;5-[5-[(1S)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile has a molecular weight of 2745.56 g/mol, XLogP of 28.28, 41 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-fluorobenzonitrile;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)acetamide;N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethanesulfonamide;5-[5-[(1S)-1-(2-methoxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;methyl 2-[[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]amino]acetate;5-[5-[(1S)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile is sourced from PubChem (CID 159926120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).