5-chloro-N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(5-oxo-1,4-diazepan-1-yl)propan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-phenacyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethyl (2S)-2-[(6-chloro-1H-pyrrolo[2,3-b]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoate;molecular hydrogen

C160H155Cl8F6N31O21 — CID 158496681

About 5-chloro-N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(5-oxo-1,4-diazepan-1-yl)propan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-phenacyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethyl (2S)-2-[(6-chloro-1H-pyrrolo[2,3-b]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoate;molecular hydrogen

5-chloro-N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(5-oxo-1,4-diazepan-1-yl)propan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-phenacyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethyl (2S)-2-[(6-chloro-1H-pyrrolo[2,3-b]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoate;molecular hydrogen (PubChem CID 158496681) has the molecular formula C160H155Cl8F6N31O21 and a molecular weight of 3245.81 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(5-oxo-1,4-diazepan-1-yl)propan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-phenacyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethyl (2S)-2-[(6-chloro-1H-pyrrolo[2,3-b]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoate;molecular hydrogen.

Molecular Properties

• Compound Name: 5-chloro-N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(5-oxo-1,4-diazepan-1-yl)propan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-phenacyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethyl (2S)-2-[(6-chloro-1H-pyrrolo[2,3-b]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoate;molecular hydrogen
• PubChem CID: 158496681
• Molecular Formula: C160H155Cl8F6N31O21
• Molecular Weight: 3245.81 g/mol
• Exact Mass: 3239.94
• IUPAC Name: 5-chloro-N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(5-oxo-1,4-diazepan-1-yl)propan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-phenacyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethyl (2S)-2-[(6-chloro-1H-pyrrolo[2,3-b]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoate;molecular hydrogen
• SMILES: CCOC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc2ccc(Cl)nc2[nH]1.CN(C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc2cc(Cl)cnc2[nH]1.CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccc(Cl)nc2[nH]1.O=C(CNC(=O)c1cc2ccc(Cl)nc2[nH]1)c1ccccc1.O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(O)CC1)c1cc2cc(Cl)cnc2[nH]1.O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(O)CC1)c1cc2ccc(Cl)nc2[nH]1.O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)N1CC[C@H](O)C1)c1cc2ccc(Cl)nc2[nH]1.O=C1CCN(C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2cc3ccc(Cl)nc3[nH]2)CCN1.[H][H].[H][H]
• InChI: InChI=1S/C22H21ClFN5O3.2C22H22ClFN4O3.C21H20ClFN4O3.C19H18ClFN4O2.C19H17ClFN3O3.C19H19ClN4O2.C16H12ClN3O2.2H2/c23-18-6-3-14-12-16(26-20(14)28-18)21(31)27-17(11-13-1-4-15(24)5-2-13)22(32)29-9-7-19(30)25-8-10-29;23-19-6-3-14-12-17(25-20(14)27-19)21(30)26-18(11-13-1-4-15(24)5-2-13)22(31)28-9-7-16(29)8-10-28;23-15-10-14-11-18(26-20(14)25-12-15)21(30)27-19(9-13-1-3-16(24)4-2-13)22(31)28-7-5-17(29)6-8-28;22-18-6-3-13-10-16(24-19(13)26-18)20(29)25-17(9-12-1-4-14(23)5-2-12)21(30)27-8-7-15(28)11-27;1-25(2)19(27)16(7-11-3-5-14(21)6-4-11)24-18(26)15-9-12-8-13(20)10-22-17(12)23-15;1-2-27-19(26)15(9-11-3-6-13(21)7-4-11)23-18(25)14-10-12-5-8-16(20)24-17(12)22-14;1-24(2)19(26)15(10-12-6-4-3-5-7-12)22-18(25)14-11-13-8-9-16(20)23-17(13)21-14;17-14-7-6-11-8-12(19-15(11)20-14)16(22)18-9-13(21)10-4-2-1-3-5-10;;/h1-6,12,17H,7-11H2,(H,25,30)(H,26,28)(H,27,31);1-6,12,16,18,29H,7-11H2,(H,25,27)(H,26,30);1-4,10-12,17,19,29H,5-9H2,(H,25,26)(H,27,30);1-6,10,15,17,28H,7-9,11H2,(H,24,26)(H,25,29);3-6,8-10,16H,7H2,1-2H3,(H,22,23)(H,24,26);3-8,10,15H,2,9H2,1H3,(H,22,24)(H,23,25);3-9,11,15H,10H2,1-2H3,(H,21,23)(H,22,25);1-8H,9H2,(H,18,22)(H,19,20);2*1H/t17-;18-;19-;15-,17-;16-;2*15-;;;/m0000000.../s1
• InChIKey: HJJLQAJLSZZTDR-GAKSVBRTSA-N
• XLogP: 21.71
• TPSA: 717.26 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 29
• Rotatable Bonds: 40
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3245.81
LogP ≤ 5	21.71
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(5-oxo-1,4-diazepan-1-yl)propan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-phenacyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethyl (2S)-2-[(6-chloro-1H-pyrrolo[2,3-b]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoate;molecular hydrogen?

The IUPAC name of 5-chloro-N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(5-oxo-1,4-diazepan-1-yl)propan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-phenacyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethyl (2S)-2-[(6-chloro-1H-pyrrolo[2,3-b]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoate;molecular hydrogen (CID 158496681) is 5-chloro-N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(5-oxo-1,4-diazepan-1-yl)propan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-phenacyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethyl (2S)-2-[(6-chloro-1H-pyrrolo[2,3-b]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoate;molecular hydrogen.

What is the SMILES notation for 5-chloro-N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(5-oxo-1,4-diazepan-1-yl)propan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-phenacyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethyl (2S)-2-[(6-chloro-1H-pyrrolo[2,3-b]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoate;molecular hydrogen?

The canonical SMILES for 5-chloro-N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(5-oxo-1,4-diazepan-1-yl)propan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-phenacyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethyl (2S)-2-[(6-chloro-1H-pyrrolo[2,3-b]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoate;molecular hydrogen is CCOC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc2ccc(Cl)nc2[nH]1.CN(C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc2cc(Cl)cnc2[nH]1.CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccc(Cl)nc2[nH]1.O=C(CNC(=O)c1cc2ccc(Cl)nc2[nH]1)c1ccccc1.O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(O)CC1)c1cc2cc(Cl)cnc2[nH]1.O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(O)CC1)c1cc2ccc(Cl)nc2[nH]1.O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)N1CC[C@H](O)C1)c1cc2ccc(Cl)nc2[nH]1.O=C1CCN(C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2cc3ccc(Cl)nc3[nH]2)CCN1.[H][H].[H][H].

What is the InChIKey of 5-chloro-N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(5-oxo-1,4-diazepan-1-yl)propan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-phenacyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethyl (2S)-2-[(6-chloro-1H-pyrrolo[2,3-b]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoate;molecular hydrogen?

The InChIKey is HJJLQAJLSZZTDR-GAKSVBRTSA-N. The full InChI is InChI=1S/C22H21ClFN5O3.2C22H22ClFN4O3.C21H20ClFN4O3.C19H18ClFN4O2.C19H17ClFN3O3.C19H19ClN4O2.C16H12ClN3O2.2H2/c23-18-6-3-14-12-16(26-20(14)28-18)21(31)27-17(11-13-1-4-15(24)5-2-13)22(32)29-9-7-19(30)25-8-10-29;23-19-6-3-14-12-17(25-20(14)27-19)21(30)26-18(11-13-1-4-15(24)5-2-13)22(31)28-9-7-16(29)8-10-28;23-15-10-14-11-18(26-20(14)25-12-15)21(30)27-19(9-13-1-3-16(24)4-2-13)22(31)28-7-5-17(29)6-8-28;22-18-6-3-13-10-16(24-19(13)26-18)20(29)25-17(9-12-1-4-14(23)5-2-12)21(30)27-8-7-15(28)11-27;1-25(2)19(27)16(7-11-3-5-14(21)6-4-11)24-18(26)15-9-12-8-13(20)10-22-17(12)23-15;1-2-27-19(26)15(9-11-3-6-13(21)7-4-11)23-18(25)14-10-12-5-8-16(20)24-17(12)22-14;1-24(2)19(26)15(10-12-6-4-3-5-7-12)22-18(25)14-11-13-8-9-16(20)23-17(13)21-14;17-14-7-6-11-8-12(19-15(11)20-14)16(22)18-9-13(21)10-4-2-1-3-5-10;;/h1-6,12,17H,7-11H2,(H,25,30)(H,26,28)(H,27,31);1-6,12,16,18,29H,7-11H2,(H,25,27)(H,26,30);1-4,10-12,17,19,29H,5-9H2,(H,25,26)(H,27,30);1-6,10,15,17,28H,7-9,11H2,(H,24,26)(H,25,29);3-6,8-10,16H,7H2,1-2H3,(H,22,23)(H,24,26);3-8,10,15H,2,9H2,1H3,(H,22,24)(H,23,25);3-9,11,15H,10H2,1-2H3,(H,21,23)(H,22,25);1-8H,9H2,(H,18,22)(H,19,20);2*1H/t17-;18-;19-;15-,17-;16-;2*15-;;;/m0000000.../s1.

What are the key properties of 5-chloro-N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(5-oxo-1,4-diazepan-1-yl)propan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-phenacyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethyl (2S)-2-[(6-chloro-1H-pyrrolo[2,3-b]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoate;molecular hydrogen?

5-chloro-N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(5-oxo-1,4-diazepan-1-yl)propan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-phenacyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethyl (2S)-2-[(6-chloro-1H-pyrrolo[2,3-b]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoate;molecular hydrogen has a molecular weight of 3245.81 g/mol, XLogP of 21.71, 40 rotatable bonds, 20 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(5-oxo-1,4-diazepan-1-yl)propan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-chloro-N-phenacyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethyl (2S)-2-[(6-chloro-1H-pyrrolo[2,3-b]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoate;molecular hydrogen is sourced from PubChem (CID 158496681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).