6-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

C81H81Cl3F2N16O10 — CID 161338245

About 6-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

6-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 161338245) has the molecular formula C81H81Cl3F2N16O10 and a molecular weight of 1583.00 g/mol. Its IUPAC name is 6-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
• PubChem CID: 161338245
• Molecular Formula: C81H81Cl3F2N16O10
• Molecular Weight: 1583.00 g/mol
• Exact Mass: 1580.54
• IUPAC Name: 6-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
• SMILES: CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cnc(Cl)cc2[nH]1.CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cnccc2[nH]1.O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(O)CC1)c1cc2cnc(Cl)cc2[nH]1.O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)N1CC[C@H](O)C1)c1cc2cnc(Cl)cc2[nH]1
• InChI: InChI=1S/C22H22ClFN4O3.C21H20ClFN4O3.C19H19ClN4O2.C19H20N4O2/c23-20-11-17-14(12-25-20)10-18(26-17)21(30)27-19(9-13-1-3-15(24)4-2-13)22(31)28-7-5-16(29)6-8-28;22-19-9-16-13(10-24-19)8-17(25-16)20(29)26-18(7-12-1-3-14(23)4-2-12)21(30)27-6-5-15(28)11-27;1-24(2)19(26)16(8-12-6-4-3-5-7-12)23-18(25)15-9-13-11-21-17(20)10-14(13)22-15;1-23(2)19(25)17(10-13-6-4-3-5-7-13)22-18(24)16-11-14-12-20-9-8-15(14)21-16/h1-4,10-12,16,19,26,29H,5-9H2,(H,27,30);1-4,8-10,15,18,25,28H,5-7,11H2,(H,26,29);3-7,9-11,16,22H,8H2,1-2H3,(H,23,25);3-9,11-12,17,21H,10H2,1-2H3,(H,22,24)/t19-;15-,18-;16-;17-/m0000/s1
• InChIKey: VMICKASLSIFKEM-ICCOITMNSA-N
• XLogP: 9.61
• TPSA: 352.82 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 14
• Rotatable Bonds: 20
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1583.00
LogP ≤ 5	9.61
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?

The IUPAC name of 6-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 161338245) is 6-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

What is the SMILES notation for 6-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?

The canonical SMILES for 6-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cnc(Cl)cc2[nH]1.CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cnccc2[nH]1.O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(O)CC1)c1cc2cnc(Cl)cc2[nH]1.O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)N1CC[C@H](O)C1)c1cc2cnc(Cl)cc2[nH]1.

What is the InChIKey of 6-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?

The InChIKey is VMICKASLSIFKEM-ICCOITMNSA-N. The full InChI is InChI=1S/C22H22ClFN4O3.C21H20ClFN4O3.C19H19ClN4O2.C19H20N4O2/c23-20-11-17-14(12-25-20)10-18(26-17)21(30)27-19(9-13-1-3-15(24)4-2-13)22(31)28-7-5-16(29)6-8-28;22-19-9-16-13(10-24-19)8-17(25-16)20(29)26-18(7-12-1-3-14(23)4-2-12)21(30)27-6-5-15(28)11-27;1-24(2)19(26)16(8-12-6-4-3-5-7-12)23-18(25)15-9-13-11-21-17(20)10-14(13)22-15;1-23(2)19(25)17(10-13-6-4-3-5-7-13)22-18(24)16-11-14-12-20-9-8-15(14)21-16/h1-4,10-12,16,19,26,29H,5-9H2,(H,27,30);1-4,8-10,15,18,25,28H,5-7,11H2,(H,26,29);3-7,9-11,16,22H,8H2,1-2H3,(H,23,25);3-9,11-12,17,21H,10H2,1-2H3,(H,22,24)/t19-;15-,18-;16-;17-/m0000/s1.

What are the key properties of 6-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?

6-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 1583.00 g/mol, XLogP of 9.61, 20 rotatable bonds, 10 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;6-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 161338245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).