N-[(2S,3R)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3S)-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-[(2R,3R)-3-hydroxy-4-(2-hydroxyethylamino)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2R,3R)-3-hydroxy-4-[methoxy(methyl)amino]-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-(propylamino)butan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C101H105Cl5N20O19 — CID 159736631

About N-[(2S,3R)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3S)-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-[(2R,3R)-3-hydroxy-4-(2-hydroxyethylamino)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2R,3R)-3-hydroxy-4-[methoxy(methyl)amino]-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-(propylamino)butan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

N-[(2S,3R)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3S)-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-[(2R,3R)-3-hydroxy-4-(2-hydroxyethylamino)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2R,3R)-3-hydroxy-4-[methoxy(methyl)amino]-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-(propylamino)butan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 159736631) has the molecular formula C101H105Cl5N20O19 and a molecular weight of 2080.34 g/mol. Its IUPAC name is N-[(2S,3R)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3S)-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-[(2R,3R)-3-hydroxy-4-(2-hydroxyethylamino)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2R,3R)-3-hydroxy-4-[methoxy(methyl)amino]-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-(propylamino)butan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S,3R)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3S)-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-[(2R,3R)-3-hydroxy-4-(2-hydroxyethylamino)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2R,3R)-3-hydroxy-4-[methoxy(methyl)amino]-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-(propylamino)butan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 159736631
• Molecular Formula: C101H105Cl5N20O19
• Molecular Weight: 2080.34 g/mol
• Exact Mass: 2076.63
• IUPAC Name: N-[(2S,3R)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3S)-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-[(2R,3R)-3-hydroxy-4-(2-hydroxyethylamino)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2R,3R)-3-hydroxy-4-[methoxy(methyl)amino]-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-(propylamino)butan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• SMILES: CCCNC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ncc2[nH]1.CON(C)C(=O)[C@H](O)[C@@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ncc2[nH]1.NC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)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.O=C(N[C@H](Cc1ccccc1)[C@@H](O)C(=O)NCCO)c1cc2cc(Cl)ncc2[nH]1
• InChI: InChI=1S/C22H23ClN4O5.C21H23ClN4O3.2C20H21ClN4O4.C18H17ClN4O3/c23-19-8-13-7-15(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;1-2-8-23-21(29)19(27)15(9-13-6-4-3-5-7-13)26-20(28)16-10-14-11-18(22)24-12-17(14)25-16;1-25(29-2)20(28)18(26)14(8-12-6-4-3-5-7-12)24-19(27)15-9-13-10-17(21)22-11-16(13)23-15;21-17-10-13-9-15(24-16(13)11-23-17)19(28)25-14(8-12-4-2-1-3-5-12)18(27)20(29)22-6-7-26;19-15-8-11-7-13(22-14(11)9-21-15)18(26)23-12(16(24)17(20)25)6-10-4-2-1-3-5-10/h1-5,7-9,14,17-18,20,25,28-30H,6,10-11H2,(H,26,31);3-7,10-12,15,19,25,27H,2,8-9H2,1H3,(H,23,29)(H,26,28);3-7,9-11,14,18,23,26H,8H2,1-2H3,(H,24,27);1-5,9-11,14,18,24,26-27H,6-8H2,(H,22,29)(H,25,28);1-5,7-9,12,16,22,24H,6H2,(H2,20,25)(H,23,26)/t14-,17-,18+,20-;15-,19+;2*14-,18-;12-,16+/m00110/s1
• InChIKey: NBXQFKOCTLGKPS-STMGYDJDSA-N
• XLogP: 7.30
• TPSA: 601.88 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 24
• Rotatable Bonds: 35
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2080.34
LogP ≤ 5	7.30
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3S)-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-[(2R,3R)-3-hydroxy-4-(2-hydroxyethylamino)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2R,3R)-3-hydroxy-4-[methoxy(methyl)amino]-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-(propylamino)butan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The IUPAC name of N-[(2S,3R)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3S)-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-[(2R,3R)-3-hydroxy-4-(2-hydroxyethylamino)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2R,3R)-3-hydroxy-4-[methoxy(methyl)amino]-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-(propylamino)butan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 159736631) is N-[(2S,3R)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3S)-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-[(2R,3R)-3-hydroxy-4-(2-hydroxyethylamino)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2R,3R)-3-hydroxy-4-[methoxy(methyl)amino]-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-(propylamino)butan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[(2S,3R)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3S)-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-[(2R,3R)-3-hydroxy-4-(2-hydroxyethylamino)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2R,3R)-3-hydroxy-4-[methoxy(methyl)amino]-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-(propylamino)butan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for N-[(2S,3R)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3S)-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-[(2R,3R)-3-hydroxy-4-(2-hydroxyethylamino)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2R,3R)-3-hydroxy-4-[methoxy(methyl)amino]-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-(propylamino)butan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is CCCNC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ncc2[nH]1.CON(C)C(=O)[C@H](O)[C@@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ncc2[nH]1.NC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)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.O=C(N[C@H](Cc1ccccc1)[C@@H](O)C(=O)NCCO)c1cc2cc(Cl)ncc2[nH]1.

What is the InChIKey of N-[(2S,3R)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3S)-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-[(2R,3R)-3-hydroxy-4-(2-hydroxyethylamino)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2R,3R)-3-hydroxy-4-[methoxy(methyl)amino]-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-(propylamino)butan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The InChIKey is NBXQFKOCTLGKPS-STMGYDJDSA-N. The full InChI is InChI=1S/C22H23ClN4O5.C21H23ClN4O3.2C20H21ClN4O4.C18H17ClN4O3/c23-19-8-13-7-15(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;1-2-8-23-21(29)19(27)15(9-13-6-4-3-5-7-13)26-20(28)16-10-14-11-18(22)24-12-17(14)25-16;1-25(29-2)20(28)18(26)14(8-12-6-4-3-5-7-12)24-19(27)15-9-13-10-17(21)22-11-16(13)23-15;21-17-10-13-9-15(24-16(13)11-23-17)19(28)25-14(8-12-4-2-1-3-5-12)18(27)20(29)22-6-7-26;19-15-8-11-7-13(22-14(11)9-21-15)18(26)23-12(16(24)17(20)25)6-10-4-2-1-3-5-10/h1-5,7-9,14,17-18,20,25,28-30H,6,10-11H2,(H,26,31);3-7,10-12,15,19,25,27H,2,8-9H2,1H3,(H,23,29)(H,26,28);3-7,9-11,14,18,23,26H,8H2,1-2H3,(H,24,27);1-5,9-11,14,18,24,26-27H,6-8H2,(H,22,29)(H,25,28);1-5,7-9,12,16,22,24H,6H2,(H2,20,25)(H,23,26)/t14-,17-,18+,20-;15-,19+;2*14-,18-;12-,16+/m00110/s1.

What are the key properties of N-[(2S,3R)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3S)-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-[(2R,3R)-3-hydroxy-4-(2-hydroxyethylamino)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2R,3R)-3-hydroxy-4-[methoxy(methyl)amino]-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-(propylamino)butan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

N-[(2S,3R)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3S)-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-[(2R,3R)-3-hydroxy-4-(2-hydroxyethylamino)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2R,3R)-3-hydroxy-4-[methoxy(methyl)amino]-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-(propylamino)butan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 2080.34 g/mol, XLogP of 7.30, 35 rotatable bonds, 21 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,3R)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S,3S)-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-[(2R,3R)-3-hydroxy-4-(2-hydroxyethylamino)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2R,3R)-3-hydroxy-4-[methoxy(methyl)amino]-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-(propylamino)butan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 159736631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).