2-(azetidin-3-ylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methylpyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[2-[[2-(dimethylamino)-2-oxoethyl]amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[3-(dimethylamino)propoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-8-hydroxyquinoline-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methoxy-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-3-ylmethyl)pyridine-4-carboxamide;N-[(2S)-2-hydroxy-3-(1,1,3,3-tetradeuterio-4H-isoquinolin-2-yl)propyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide

C184H227N31O23 — CID 157493662

About 2-(azetidin-3-ylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methylpyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[2-[[2-(dimethylamino)-2-oxoethyl]amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[3-(dimethylamino)propoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-8-hydroxyquinoline-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methoxy-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-3-ylmethyl)pyridine-4-carboxamide;N-[(2S)-2-hydroxy-3-(1,1,3,3-tetradeuterio-4H-isoquinolin-2-yl)propyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide

2-(azetidin-3-ylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methylpyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[2-[[2-(dimethylamino)-2-oxoethyl]amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[3-(dimethylamino)propoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-8-hydroxyquinoline-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methoxy-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-3-ylmethyl)pyridine-4-carboxamide;N-[(2S)-2-hydroxy-3-(1,1,3,3-tetradeuterio-4H-isoquinolin-2-yl)propyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 157493662) has the molecular formula C184H227N31O23 and a molecular weight of 3245.06 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methylpyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[2-[[2-(dimethylamino)-2-oxoethyl]amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[3-(dimethylamino)propoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-8-hydroxyquinoline-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methoxy-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-3-ylmethyl)pyridine-4-carboxamide;N-[(2S)-2-hydroxy-3-(1,1,3,3-tetradeuterio-4H-isoquinolin-2-yl)propyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 2-(azetidin-3-ylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methylpyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[2-[[2-(dimethylamino)-2-oxoethyl]amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[3-(dimethylamino)propoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-8-hydroxyquinoline-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methoxy-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-3-ylmethyl)pyridine-4-carboxamide;N-[(2S)-2-hydroxy-3-(1,1,3,3-tetradeuterio-4H-isoquinolin-2-yl)propyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide
• PubChem CID: 157493662
• Molecular Formula: C184H227N31O23
• Molecular Weight: 3245.06 g/mol
• Exact Mass: 3242.78
• IUPAC Name: 2-(azetidin-3-ylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methylpyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[2-[[2-(dimethylamino)-2-oxoethyl]amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[3-(dimethylamino)propoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-8-hydroxyquinoline-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methoxy-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-3-ylmethyl)pyridine-4-carboxamide;N-[(2S)-2-hydroxy-3-(1,1,3,3-tetradeuterio-4H-isoquinolin-2-yl)propyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide
• SMILES: CN(C)C(=O)CNCCOc1cccc(C(=O)NCC(O)CN2CCc3ccccc3C2)c1.CN(C)CCCOc1ccc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1.COc1c(CC2COC2)ncnc1C(=O)NC[C@H](O)CN1CCc2ccccc2C1.Cc1cnc(CC2CNC2)cc1C(=O)NC[C@H](O)CN1CCc2ccccc2C1.Cn1ccc(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ccn2)n1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc2cccnc2c1O.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(Cc2cccnc2)c1.[2H]C1([2H])Cc2ccccc2C([2H])([2H])N1C[C@@H](O)CNC(=O)c1cc(CC2COC2)ncn1
• InChI: InChI=1S/C25H34N4O4.C24H26N4O2.C24H33N3O3.C23H27N5O2.C23H30N4O2.C22H28N4O4.C22H23N3O3.C21H26N4O3/c1-28(2)24(31)16-26-11-13-33-23-9-5-8-20(14-23)25(32)27-15-22(30)18-29-12-10-19-6-3-4-7-21(19)17-29;29-23(17-28-11-8-19-5-1-2-6-21(19)16-28)15-27-24(30)20-7-10-26-22(13-20)12-18-4-3-9-25-14-18;1-26(2)13-5-15-30-23-10-8-20(9-11-23)24(29)25-16-22(28)18-27-14-12-19-6-3-4-7-21(19)17-27;1-27-10-8-20(26-27)13-21-12-18(6-9-24-21)23(30)25-14-22(29)16-28-11-7-17-4-2-3-5-19(17)15-28;1-16-10-25-20(8-17-11-24-12-17)9-22(16)23(29)26-13-21(28)15-27-7-6-18-4-2-3-5-19(18)14-27;1-29-21-19(8-15-12-30-13-15)24-14-25-20(21)22(28)23-9-18(27)11-26-7-6-16-4-2-3-5-17(16)10-26;26-18(14-25-11-9-15-4-1-2-5-17(15)13-25)12-24-22(28)19-8-7-16-6-3-10-23-20(16)21(19)27;26-19(11-25-6-5-16-3-1-2-4-17(16)10-25)9-22-21(27)20-8-18(23-14-24-20)7-15-12-28-13-15/h3-9,14,22,26,30H,10-13,15-18H2,1-2H3,(H,27,32);1-7,9-10,13-14,23,29H,8,11-12,15-17H2,(H,27,30);3-4,6-11,22,28H,5,12-18H2,1-2H3,(H,25,29);2-6,8-10,12,22,29H,7,11,13-16H2,1H3,(H,25,30);2-5,9-10,17,21,24,28H,6-8,11-15H2,1H3,(H,26,29);2-5,14-15,18,27H,6-13H2,1H3,(H,23,28);1-8,10,18,26-27H,9,11-14H2,(H,24,28);1-4,8,14-15,19,26H,5-7,9-13H2,(H,22,27)/t;23-;2*22-;21-;2*18-;19-/m.0000000/s1/i;;;;;;;6D2,10D2
• InChIKey: BXOLGBUZTINWTI-SLASRUTCSA-N
• XLogP: 11.86
• TPSA: 668.38 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 45
• Rotatable Bonds: 62
• Heavy Atoms: 238
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3245.06
LogP ≤ 5	11.86
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methylpyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[2-[[2-(dimethylamino)-2-oxoethyl]amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[3-(dimethylamino)propoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-8-hydroxyquinoline-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methoxy-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-3-ylmethyl)pyridine-4-carboxamide;N-[(2S)-2-hydroxy-3-(1,1,3,3-tetradeuterio-4H-isoquinolin-2-yl)propyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide?

The IUPAC name of 2-(azetidin-3-ylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methylpyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[2-[[2-(dimethylamino)-2-oxoethyl]amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[3-(dimethylamino)propoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-8-hydroxyquinoline-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methoxy-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-3-ylmethyl)pyridine-4-carboxamide;N-[(2S)-2-hydroxy-3-(1,1,3,3-tetradeuterio-4H-isoquinolin-2-yl)propyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide (CID 157493662) is 2-(azetidin-3-ylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methylpyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[2-[[2-(dimethylamino)-2-oxoethyl]amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[3-(dimethylamino)propoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-8-hydroxyquinoline-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methoxy-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-3-ylmethyl)pyridine-4-carboxamide;N-[(2S)-2-hydroxy-3-(1,1,3,3-tetradeuterio-4H-isoquinolin-2-yl)propyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide.

What is the SMILES notation for 2-(azetidin-3-ylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methylpyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[2-[[2-(dimethylamino)-2-oxoethyl]amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[3-(dimethylamino)propoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-8-hydroxyquinoline-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methoxy-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-3-ylmethyl)pyridine-4-carboxamide;N-[(2S)-2-hydroxy-3-(1,1,3,3-tetradeuterio-4H-isoquinolin-2-yl)propyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide?

The canonical SMILES for 2-(azetidin-3-ylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methylpyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[2-[[2-(dimethylamino)-2-oxoethyl]amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[3-(dimethylamino)propoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-8-hydroxyquinoline-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methoxy-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-3-ylmethyl)pyridine-4-carboxamide;N-[(2S)-2-hydroxy-3-(1,1,3,3-tetradeuterio-4H-isoquinolin-2-yl)propyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide is CN(C)C(=O)CNCCOc1cccc(C(=O)NCC(O)CN2CCc3ccccc3C2)c1.CN(C)CCCOc1ccc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1.COc1c(CC2COC2)ncnc1C(=O)NC[C@H](O)CN1CCc2ccccc2C1.Cc1cnc(CC2CNC2)cc1C(=O)NC[C@H](O)CN1CCc2ccccc2C1.Cn1ccc(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ccn2)n1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc2cccnc2c1O.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(Cc2cccnc2)c1.[2H]C1([2H])Cc2ccccc2C([2H])([2H])N1C[C@@H](O)CNC(=O)c1cc(CC2COC2)ncn1.

What is the InChIKey of 2-(azetidin-3-ylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methylpyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[2-[[2-(dimethylamino)-2-oxoethyl]amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[3-(dimethylamino)propoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-8-hydroxyquinoline-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methoxy-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-3-ylmethyl)pyridine-4-carboxamide;N-[(2S)-2-hydroxy-3-(1,1,3,3-tetradeuterio-4H-isoquinolin-2-yl)propyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide?

The InChIKey is BXOLGBUZTINWTI-SLASRUTCSA-N. The full InChI is InChI=1S/C25H34N4O4.C24H26N4O2.C24H33N3O3.C23H27N5O2.C23H30N4O2.C22H28N4O4.C22H23N3O3.C21H26N4O3/c1-28(2)24(31)16-26-11-13-33-23-9-5-8-20(14-23)25(32)27-15-22(30)18-29-12-10-19-6-3-4-7-21(19)17-29;29-23(17-28-11-8-19-5-1-2-6-21(19)16-28)15-27-24(30)20-7-10-26-22(13-20)12-18-4-3-9-25-14-18;1-26(2)13-5-15-30-23-10-8-20(9-11-23)24(29)25-16-22(28)18-27-14-12-19-6-3-4-7-21(19)17-27;1-27-10-8-20(26-27)13-21-12-18(6-9-24-21)23(30)25-14-22(29)16-28-11-7-17-4-2-3-5-19(17)15-28;1-16-10-25-20(8-17-11-24-12-17)9-22(16)23(29)26-13-21(28)15-27-7-6-18-4-2-3-5-19(18)14-27;1-29-21-19(8-15-12-30-13-15)24-14-25-20(21)22(28)23-9-18(27)11-26-7-6-16-4-2-3-5-17(16)10-26;26-18(14-25-11-9-15-4-1-2-5-17(15)13-25)12-24-22(28)19-8-7-16-6-3-10-23-20(16)21(19)27;26-19(11-25-6-5-16-3-1-2-4-17(16)10-25)9-22-21(27)20-8-18(23-14-24-20)7-15-12-28-13-15/h3-9,14,22,26,30H,10-13,15-18H2,1-2H3,(H,27,32);1-7,9-10,13-14,23,29H,8,11-12,15-17H2,(H,27,30);3-4,6-11,22,28H,5,12-18H2,1-2H3,(H,25,29);2-6,8-10,12,22,29H,7,11,13-16H2,1H3,(H,25,30);2-5,9-10,17,21,24,28H,6-8,11-15H2,1H3,(H,26,29);2-5,14-15,18,27H,6-13H2,1H3,(H,23,28);1-8,10,18,26-27H,9,11-14H2,(H,24,28);1-4,8,14-15,19,26H,5-7,9-13H2,(H,22,27)/t;23-;2*22-;21-;2*18-;19-/m.0000000/s1/i;;;;;;;6D2,10D2.

What are the key properties of 2-(azetidin-3-ylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methylpyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[2-[[2-(dimethylamino)-2-oxoethyl]amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[3-(dimethylamino)propoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-8-hydroxyquinoline-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methoxy-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-3-ylmethyl)pyridine-4-carboxamide;N-[(2S)-2-hydroxy-3-(1,1,3,3-tetradeuterio-4H-isoquinolin-2-yl)propyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide?

2-(azetidin-3-ylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methylpyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[2-[[2-(dimethylamino)-2-oxoethyl]amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[3-(dimethylamino)propoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-8-hydroxyquinoline-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methoxy-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-3-ylmethyl)pyridine-4-carboxamide;N-[(2S)-2-hydroxy-3-(1,1,3,3-tetradeuterio-4H-isoquinolin-2-yl)propyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 3245.06 g/mol, XLogP of 11.86, 62 rotatable bonds, 19 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(azetidin-3-ylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methylpyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[2-[[2-(dimethylamino)-2-oxoethyl]amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[3-(dimethylamino)propoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-8-hydroxyquinoline-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methoxy-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-3-ylmethyl)pyridine-4-carboxamide;N-[(2S)-2-hydroxy-3-(1,1,3,3-tetradeuterio-4H-isoquinolin-2-yl)propyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 157493662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).