5-chloro-N-[(2S,3R)-3-hydroxy-4-[4-(hydroxymethyl)piperidin-1-yl]-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-(4-methylpiperazin-1-yl)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-oxo-1-phenyl-4-piperidin-1-ylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C115H126Cl5N21O18 — CID 158387610

About 5-chloro-N-[(2S,3R)-3-hydroxy-4-[4-(hydroxymethyl)piperidin-1-yl]-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-(4-methylpiperazin-1-yl)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-oxo-1-phenyl-4-piperidin-1-ylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

5-chloro-N-[(2S,3R)-3-hydroxy-4-[4-(hydroxymethyl)piperidin-1-yl]-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-(4-methylpiperazin-1-yl)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-oxo-1-phenyl-4-piperidin-1-ylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 158387610) has the molecular formula C115H126Cl5N21O18 and a molecular weight of 2267.67 g/mol. Its IUPAC name is 5-chloro-N-[(2S,3R)-3-hydroxy-4-[4-(hydroxymethyl)piperidin-1-yl]-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-(4-methylpiperazin-1-yl)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-oxo-1-phenyl-4-piperidin-1-ylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[(2S,3R)-3-hydroxy-4-[4-(hydroxymethyl)piperidin-1-yl]-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-(4-methylpiperazin-1-yl)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-oxo-1-phenyl-4-piperidin-1-ylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 158387610
• Molecular Formula: C115H126Cl5N21O18
• Molecular Weight: 2267.67 g/mol
• Exact Mass: 2263.80
• IUPAC Name: 5-chloro-N-[(2S,3R)-3-hydroxy-4-[4-(hydroxymethyl)piperidin-1-yl]-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-(4-methylpiperazin-1-yl)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-oxo-1-phenyl-4-piperidin-1-ylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• SMILES: CN1CCN(C(=O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc3cc(Cl)ncc3[nH]2)CC1.O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N1CCC(CO)CC1)c1cc2cc(Cl)ncc2[nH]1.O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N1CCC(O)CC1)c1cc2cc(Cl)ncc2[nH]1.O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N1CCCCC1)c1cc2cc(Cl)ncc2[nH]1.O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N1CC[C@H](O)C1)c1cc2cc(Cl)ncc2[nH]1
• InChI: InChI=1S/C24H27ClN4O4.C23H26ClN5O3.C23H25ClN4O4.C23H25ClN4O3.C22H23ClN4O4/c25-21-12-17-11-19(27-20(17)13-26-21)23(32)28-18(10-15-4-2-1-3-5-15)22(31)24(33)29-8-6-16(14-30)7-9-29;1-28-7-9-29(10-8-28)23(32)21(30)17(11-15-5-3-2-4-6-15)27-22(31)18-12-16-13-20(24)25-14-19(16)26-18;24-20-12-15-11-18(26-19(15)13-25-20)22(31)27-17(10-14-4-2-1-3-5-14)21(30)23(32)28-8-6-16(29)7-9-28;24-20-13-16-12-18(26-19(16)14-25-20)22(30)27-17(11-15-7-3-1-4-8-15)21(29)23(31)28-9-5-2-6-10-28;23-19-10-14-9-17(25-18(14)11-24-19)21(30)26-16(8-13-4-2-1-3-5-13)20(29)22(31)27-7-6-15(28)12-27/h1-5,11-13,16,18,22,27,30-31H,6-10,14H2,(H,28,32);2-6,12-14,17,21,26,30H,7-11H2,1H3,(H,27,31);1-5,11-13,16-17,21,26,29-30H,6-10H2,(H,27,31);1,3-4,7-8,12-14,17,21,26,29H,2,5-6,9-11H2,(H,27,30);1-5,9-11,15-16,20,25,28-29H,6-8,12H2,(H,26,30)/t18-,22+;3*17-,21+;15-,16-,20+/m00000/s1
• InChIKey: GWNZQJQOZDQLDI-GUYVSIIRSA-N
• XLogP: 10.19
• TPSA: 555.53 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 24
• Rotatable Bonds: 31
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2267.67
LogP ≤ 5	10.19
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	24

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,3R)-3-hydroxy-4-[4-(hydroxymethyl)piperidin-1-yl]-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-(4-methylpiperazin-1-yl)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-oxo-1-phenyl-4-piperidin-1-ylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The IUPAC name of 5-chloro-N-[(2S,3R)-3-hydroxy-4-[4-(hydroxymethyl)piperidin-1-yl]-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-(4-methylpiperazin-1-yl)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-oxo-1-phenyl-4-piperidin-1-ylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 158387610) is 5-chloro-N-[(2S,3R)-3-hydroxy-4-[4-(hydroxymethyl)piperidin-1-yl]-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-(4-methylpiperazin-1-yl)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-oxo-1-phenyl-4-piperidin-1-ylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[(2S,3R)-3-hydroxy-4-[4-(hydroxymethyl)piperidin-1-yl]-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-(4-methylpiperazin-1-yl)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-oxo-1-phenyl-4-piperidin-1-ylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for 5-chloro-N-[(2S,3R)-3-hydroxy-4-[4-(hydroxymethyl)piperidin-1-yl]-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-(4-methylpiperazin-1-yl)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-oxo-1-phenyl-4-piperidin-1-ylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is CN1CCN(C(=O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc3cc(Cl)ncc3[nH]2)CC1.O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N1CCC(CO)CC1)c1cc2cc(Cl)ncc2[nH]1.O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N1CCC(O)CC1)c1cc2cc(Cl)ncc2[nH]1.O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N1CCCCC1)c1cc2cc(Cl)ncc2[nH]1.O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N1CC[C@H](O)C1)c1cc2cc(Cl)ncc2[nH]1.

What is the InChIKey of 5-chloro-N-[(2S,3R)-3-hydroxy-4-[4-(hydroxymethyl)piperidin-1-yl]-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-(4-methylpiperazin-1-yl)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-oxo-1-phenyl-4-piperidin-1-ylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The InChIKey is GWNZQJQOZDQLDI-GUYVSIIRSA-N. The full InChI is InChI=1S/C24H27ClN4O4.C23H26ClN5O3.C23H25ClN4O4.C23H25ClN4O3.C22H23ClN4O4/c25-21-12-17-11-19(27-20(17)13-26-21)23(32)28-18(10-15-4-2-1-3-5-15)22(31)24(33)29-8-6-16(14-30)7-9-29;1-28-7-9-29(10-8-28)23(32)21(30)17(11-15-5-3-2-4-6-15)27-22(31)18-12-16-13-20(24)25-14-19(16)26-18;24-20-12-15-11-18(26-19(15)13-25-20)22(31)27-17(10-14-4-2-1-3-5-14)21(30)23(32)28-8-6-16(29)7-9-28;24-20-13-16-12-18(26-19(16)14-25-20)22(30)27-17(11-15-7-3-1-4-8-15)21(29)23(31)28-9-5-2-6-10-28;23-19-10-14-9-17(25-18(14)11-24-19)21(30)26-16(8-13-4-2-1-3-5-13)20(29)22(31)27-7-6-15(28)12-27/h1-5,11-13,16,18,22,27,30-31H,6-10,14H2,(H,28,32);2-6,12-14,17,21,26,30H,7-11H2,1H3,(H,27,31);1-5,11-13,16-17,21,26,29-30H,6-10H2,(H,27,31);1,3-4,7-8,12-14,17,21,26,29H,2,5-6,9-11H2,(H,27,30);1-5,9-11,15-16,20,25,28-29H,6-8,12H2,(H,26,30)/t18-,22+;3*17-,21+;15-,16-,20+/m00000/s1.

What are the key properties of 5-chloro-N-[(2S,3R)-3-hydroxy-4-[4-(hydroxymethyl)piperidin-1-yl]-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-(4-methylpiperazin-1-yl)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-oxo-1-phenyl-4-piperidin-1-ylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

5-chloro-N-[(2S,3R)-3-hydroxy-4-[4-(hydroxymethyl)piperidin-1-yl]-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-(4-methylpiperazin-1-yl)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-oxo-1-phenyl-4-piperidin-1-ylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 2267.67 g/mol, XLogP of 10.19, 31 rotatable bonds, 18 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[(2S,3R)-3-hydroxy-4-[4-(hydroxymethyl)piperidin-1-yl]-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-(4-methylpiperazin-1-yl)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3R)-3-hydroxy-4-oxo-1-phenyl-4-piperidin-1-ylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 158387610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).