5-chloro-N-[(2S)-3-methoxy-1-oxo-1-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-(2-oxo-2-pyridin-3-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-phenacyl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2S)-2-[(5-cyano-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoic acid;ethyl (2S)-2-[(5-cyano-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoate

C108H87Cl2F3N24O15 — CID 161122061

About 5-chloro-N-[(2S)-3-methoxy-1-oxo-1-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-(2-oxo-2-pyridin-3-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-phenacyl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2S)-2-[(5-cyano-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoic acid;ethyl (2S)-2-[(5-cyano-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoate

5-chloro-N-[(2S)-3-methoxy-1-oxo-1-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-(2-oxo-2-pyridin-3-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-phenacyl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2S)-2-[(5-cyano-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoic acid;ethyl (2S)-2-[(5-cyano-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoate (PubChem CID 161122061) has the molecular formula C108H87Cl2F3N24O15 and a molecular weight of 2088.94 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-3-methoxy-1-oxo-1-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-(2-oxo-2-pyridin-3-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-phenacyl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2S)-2-[(5-cyano-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoic acid;ethyl (2S)-2-[(5-cyano-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoate.

Molecular Properties

• Compound Name: 5-chloro-N-[(2S)-3-methoxy-1-oxo-1-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-(2-oxo-2-pyridin-3-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-phenacyl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2S)-2-[(5-cyano-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoic acid;ethyl (2S)-2-[(5-cyano-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoate
• PubChem CID: 161122061
• Molecular Formula: C108H87Cl2F3N24O15
• Molecular Weight: 2088.94 g/mol
• Exact Mass: 2086.61
• IUPAC Name: 5-chloro-N-[(2S)-3-methoxy-1-oxo-1-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-(2-oxo-2-pyridin-3-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-phenacyl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2S)-2-[(5-cyano-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoic acid;ethyl (2S)-2-[(5-cyano-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoate
• SMILES: CCOC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc2cc(C#N)ncc2[nH]1.CN(C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc2cc(C#N)ncc2[nH]1.COC[C@H](NC(=O)c1cc2cc(Cl)ncc2[nH]1)C(=O)c1ccccc1.N#Cc1cc2cc(C(=O)NCC(=O)c3ccccc3)[nH]c2cn1.N#Cc1cc2cc(C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)O)[nH]c2cn1.O=C(CNC(=O)c1cc2cc(Cl)ncc2[nH]1)c1cccnc1
• InChI: InChI=1S/C20H18FN5O2.C20H17FN4O3.C18H16ClN3O3.C18H13FN4O3.C17H12N4O2.C15H11ClN4O2/c1-26(2)20(28)17(7-12-3-5-14(21)6-4-12)25-19(27)16-9-13-8-15(10-22)23-11-18(13)24-16;1-2-28-20(27)17(7-12-3-5-14(21)6-4-12)25-19(26)16-9-13-8-15(10-22)23-11-18(13)24-16;1-25-10-15(17(23)11-5-3-2-4-6-11)22-18(24)13-7-12-8-16(19)20-9-14(12)21-13;19-12-3-1-10(2-4-12)5-15(18(25)26)23-17(24)14-7-11-6-13(8-20)21-9-16(11)22-14;18-8-13-6-12-7-14(21-15(12)9-19-13)17(23)20-10-16(22)11-4-2-1-3-5-11;16-14-5-10-4-11(20-12(10)7-18-14)15(22)19-8-13(21)9-2-1-3-17-6-9/h3-6,8-9,11,17,24H,7H2,1-2H3,(H,25,27);3-6,8-9,11,17,24H,2,7H2,1H3,(H,25,26);2-9,15,21H,10H2,1H3,(H,22,24);1-4,6-7,9,15,22H,5H2,(H,23,24)(H,25,26);1-7,9,21H,10H2,(H,20,23);1-7,20H,8H2,(H,19,22)/t2*17-;2*15-;;/m0000../s1
• InChIKey: ULBSBEYLNBJZMB-HPCRENKHSA-N
• XLogP: 13.60
• TPSA: 599.08 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 25
• Rotatable Bonds: 30
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2088.94
LogP ≤ 5	13.60
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	25

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)-3-methoxy-1-oxo-1-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-(2-oxo-2-pyridin-3-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-phenacyl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2S)-2-[(5-cyano-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoic acid;ethyl (2S)-2-[(5-cyano-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoate?

The IUPAC name of 5-chloro-N-[(2S)-3-methoxy-1-oxo-1-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-(2-oxo-2-pyridin-3-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-phenacyl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2S)-2-[(5-cyano-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoic acid;ethyl (2S)-2-[(5-cyano-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoate (CID 161122061) is 5-chloro-N-[(2S)-3-methoxy-1-oxo-1-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-(2-oxo-2-pyridin-3-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-phenacyl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2S)-2-[(5-cyano-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoic acid;ethyl (2S)-2-[(5-cyano-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoate.

What is the SMILES notation for 5-chloro-N-[(2S)-3-methoxy-1-oxo-1-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-(2-oxo-2-pyridin-3-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-phenacyl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2S)-2-[(5-cyano-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoic acid;ethyl (2S)-2-[(5-cyano-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoate?

The canonical SMILES for 5-chloro-N-[(2S)-3-methoxy-1-oxo-1-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-(2-oxo-2-pyridin-3-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-phenacyl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2S)-2-[(5-cyano-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoic acid;ethyl (2S)-2-[(5-cyano-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoate is CCOC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc2cc(C#N)ncc2[nH]1.CN(C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc2cc(C#N)ncc2[nH]1.COC[C@H](NC(=O)c1cc2cc(Cl)ncc2[nH]1)C(=O)c1ccccc1.N#Cc1cc2cc(C(=O)NCC(=O)c3ccccc3)[nH]c2cn1.N#Cc1cc2cc(C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)O)[nH]c2cn1.O=C(CNC(=O)c1cc2cc(Cl)ncc2[nH]1)c1cccnc1.

What is the InChIKey of 5-chloro-N-[(2S)-3-methoxy-1-oxo-1-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-(2-oxo-2-pyridin-3-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-phenacyl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2S)-2-[(5-cyano-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoic acid;ethyl (2S)-2-[(5-cyano-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoate?

The InChIKey is ULBSBEYLNBJZMB-HPCRENKHSA-N. The full InChI is InChI=1S/C20H18FN5O2.C20H17FN4O3.C18H16ClN3O3.C18H13FN4O3.C17H12N4O2.C15H11ClN4O2/c1-26(2)20(28)17(7-12-3-5-14(21)6-4-12)25-19(27)16-9-13-8-15(10-22)23-11-18(13)24-16;1-2-28-20(27)17(7-12-3-5-14(21)6-4-12)25-19(26)16-9-13-8-15(10-22)23-11-18(13)24-16;1-25-10-15(17(23)11-5-3-2-4-6-11)22-18(24)13-7-12-8-16(19)20-9-14(12)21-13;19-12-3-1-10(2-4-12)5-15(18(25)26)23-17(24)14-7-11-6-13(8-20)21-9-16(11)22-14;18-8-13-6-12-7-14(21-15(12)9-19-13)17(23)20-10-16(22)11-4-2-1-3-5-11;16-14-5-10-4-11(20-12(10)7-18-14)15(22)19-8-13(21)9-2-1-3-17-6-9/h3-6,8-9,11,17,24H,7H2,1-2H3,(H,25,27);3-6,8-9,11,17,24H,2,7H2,1H3,(H,25,26);2-9,15,21H,10H2,1H3,(H,22,24);1-4,6-7,9,15,22H,5H2,(H,23,24)(H,25,26);1-7,9,21H,10H2,(H,20,23);1-7,20H,8H2,(H,19,22)/t2*17-;2*15-;;/m0000../s1.

What are the key properties of 5-chloro-N-[(2S)-3-methoxy-1-oxo-1-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-(2-oxo-2-pyridin-3-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-phenacyl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2S)-2-[(5-cyano-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoic acid;ethyl (2S)-2-[(5-cyano-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoate?

5-chloro-N-[(2S)-3-methoxy-1-oxo-1-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-(2-oxo-2-pyridin-3-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-phenacyl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2S)-2-[(5-cyano-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoic acid;ethyl (2S)-2-[(5-cyano-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoate has a molecular weight of 2088.94 g/mol, XLogP of 13.60, 30 rotatable bonds, 13 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[(2S)-3-methoxy-1-oxo-1-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-(2-oxo-2-pyridin-3-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-phenacyl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2S)-2-[(5-cyano-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoic acid;ethyl (2S)-2-[(5-cyano-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoate is sourced from PubChem (CID 161122061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).