5-bromo-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-4-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C₁₂₀H₁₂₃BrCl₃FN₂₄O₁₆ — CID 157250943

About 5-bromo-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-4-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

5-bromo-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-4-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 157250943) has the molecular formula C₁₂₀H₁₂₃BrCl₃FN₂₄O₁₆ and a molecular weight of 2362.72 g/mol. Its IUPAC name is 5-bromo-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-4-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-bromo-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-4-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 157250943
• Molecular Formula: C₁₂₀H₁₂₃BrCl₃FN₂₄O₁₆
• Molecular Weight: 2362.72 g/mol
• Exact Mass: 2358.78
• IUPAC Name: 5-bromo-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-4-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• SMILES: CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Br)ncc2[nH]1.CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ncc2[nH]1.CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cccnc2[nH]1.CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccncc2[nH]1.O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(O)CC1)c1cc2cc(Cl)ncc2[nH]1.O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N1C[C@@H](O)[C@@H](O)C1)c1cc2cc(Cl)ncc2[nH]1
• InChI: InChI=1S/C22H22ClFN4O3.C22H23ClN4O5.C19H19BrN4O2.C19H19ClN4O2.2C19H20N4O2/c23-20-11-14-10-17(26-19(14)12-25-20)21(30)27-18(9-13-1-3-15(24)4-2-13)22(31)28-7-5-16(29)6-8-28;23-19-8-13-7-15(25-16(13)9-24-19)21(31)26-14(6-12-4-2-1-3-5-12)20(30)22(32)27-10-17(28)18(29)11-27;2*1-24(2)19(26)15(8-12-6-4-3-5-7-12)23-18(25)14-9-13-10-17(20)21-11-16(13)22-14;1-23(2)19(25)16(11-13-7-4-3-5-8-13)22-18(24)15-12-14-9-6-10-20-17(14)21-15;1-23(2)19(25)16(10-13-6-4-3-5-7-13)22-18(24)15-11-14-8-9-20-12-17(14)21-15/h1-4,10-12,16,18,26,29H,5-9H2,(H,27,30);1-5,7-9,14,17-18,20,25,28-30H,6,10-11H2,(H,26,31);2*3-7,9-11,15,22H,8H2,1-2H3,(H,23,25);3-10,12,16H,11H2,1-2H3,(H,20,21)(H,22,24);3-9,11-12,16,21H,10H2,1-2H3,(H,22,24)/t18-;14-,17-,18+,20+;2*15-;2*16-/m000000/s1
• InChIKey: AWIKYASTRNXDLO-QRVUPSKHSA-N
• XLogP: 12.55
• TPSA: 549.46 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 22
• Rotatable Bonds: 31
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2362.72
LogP ≤ 5	12.55
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-4-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The IUPAC name of 5-bromo-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-4-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 157250943) is 5-bromo-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-4-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for 5-bromo-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-4-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for 5-bromo-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-4-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Br)ncc2[nH]1.CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ncc2[nH]1.CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cccnc2[nH]1.CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccncc2[nH]1.O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(O)CC1)c1cc2cc(Cl)ncc2[nH]1.O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N1C[C@@H](O)[C@@H](O)C1)c1cc2cc(Cl)ncc2[nH]1.

What is the InChIKey of 5-bromo-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-4-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The InChIKey is AWIKYASTRNXDLO-QRVUPSKHSA-N. The full InChI is InChI=1S/C22H22ClFN4O3.C22H23ClN4O5.C19H19BrN4O2.C19H19ClN4O2.2C19H20N4O2/c23-20-11-14-10-17(26-19(14)12-25-20)21(30)27-18(9-13-1-3-15(24)4-2-13)22(31)28-7-5-16(29)6-8-28;23-19-8-13-7-15(25-16(13)9-24-19)21(31)26-14(6-12-4-2-1-3-5-12)20(30)22(32)27-10-17(28)18(29)11-27;2*1-24(2)19(26)15(8-12-6-4-3-5-7-12)23-18(25)14-9-13-10-17(20)21-11-16(13)22-14;1-23(2)19(25)16(11-13-7-4-3-5-8-13)22-18(24)15-12-14-9-6-10-20-17(14)21-15;1-23(2)19(25)16(10-13-6-4-3-5-7-13)22-18(24)15-11-14-8-9-20-12-17(14)21-15/h1-4,10-12,16,18,26,29H,5-9H2,(H,27,30);1-5,7-9,14,17-18,20,25,28-30H,6,10-11H2,(H,26,31);2*3-7,9-11,15,22H,8H2,1-2H3,(H,23,25);3-10,12,16H,11H2,1-2H3,(H,20,21)(H,22,24);3-9,11-12,16,21H,10H2,1-2H3,(H,22,24)/t18-;14-,17-,18+,20+;2*15-;2*16-/m000000/s1.

What are the key properties of 5-bromo-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-4-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

5-bromo-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-4-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 2362.72 g/mol, XLogP of 12.55, 31 rotatable bonds, 16 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-4-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 157250943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157250943 — identifiers, structure, computed properties (public domain)

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