2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-3-yl]ethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-[(E)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethenyl]pyrrolo[3,2-b]pyridin-3-yl]ethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-propoxypyrrolo[3,2-b]pyridin-3-yl]ethanone

C75H78N14O8 — CID 163677694

About 2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-3-yl]ethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-[(E)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethenyl]pyrrolo[3,2-b]pyridin-3-yl]ethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-propoxypyrrolo[3,2-b]pyridin-3-yl]ethanone

2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-3-yl]ethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-[(E)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethenyl]pyrrolo[3,2-b]pyridin-3-yl]ethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-propoxypyrrolo[3,2-b]pyridin-3-yl]ethanone (PubChem CID 163677694) has the molecular formula C75H78N14O8 and a molecular weight of 1303.54 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-3-yl]ethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-[(E)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethenyl]pyrrolo[3,2-b]pyridin-3-yl]ethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-propoxypyrrolo[3,2-b]pyridin-3-yl]ethanone.

Molecular Properties

• Compound Name: 2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-3-yl]ethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-[(E)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethenyl]pyrrolo[3,2-b]pyridin-3-yl]ethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-propoxypyrrolo[3,2-b]pyridin-3-yl]ethanone
• PubChem CID: 163677694
• Molecular Formula: C75H78N14O8
• Molecular Weight: 1303.54 g/mol
• Exact Mass: 1302.61
• IUPAC Name: 2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-3-yl]ethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-[(E)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethenyl]pyrrolo[3,2-b]pyridin-3-yl]ethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-propoxypyrrolo[3,2-b]pyridin-3-yl]ethanone
• SMILES: [C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCC(O)CC3)c3ncc(/C=C/c4nnc(C)o4)cc32)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCC(O)CC3)c3ncc(C)cc32)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCC(O)CC3)c3ncc(OCCC)cc32)cc1
• InChI: InChI=1S/C27H26N6O3.C25H28N4O3.C23H24N4O2/c1-17-26(24(35)16-32-12-10-22(34)11-13-32)27-23(33(17)21-7-5-20(28-3)6-8-21)14-19(15-29-27)4-9-25-31-30-18(2)36-25;1-4-13-32-21-14-22-25(27-15-21)24(23(31)16-28-11-9-20(30)10-12-28)17(2)29(22)19-7-5-18(26-3)6-8-19;1-15-12-20-23(25-13-15)22(21(29)14-26-10-8-19(28)9-11-26)16(2)27(20)18-6-4-17(24-3)5-7-18/h4-9,14-15,22,34H,10-13,16H2,1-2H3;5-8,14-15,20,30H,4,9-13,16H2,1-2H3;4-7,12-13,19,28H,8-11,14H2,1-2H3/b9-4+
• InChIKey: JICNWXGBHKRJLQ-HPJBNNNXSA-N
• XLogP: 12.53
• TPSA: 236.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 17
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1303.54
LogP ≤ 5	12.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-3-yl]ethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-[(E)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethenyl]pyrrolo[3,2-b]pyridin-3-yl]ethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-propoxypyrrolo[3,2-b]pyridin-3-yl]ethanone?

The IUPAC name of 2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-3-yl]ethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-[(E)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethenyl]pyrrolo[3,2-b]pyridin-3-yl]ethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-propoxypyrrolo[3,2-b]pyridin-3-yl]ethanone (CID 163677694) is 2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-3-yl]ethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-[(E)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethenyl]pyrrolo[3,2-b]pyridin-3-yl]ethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-propoxypyrrolo[3,2-b]pyridin-3-yl]ethanone.

What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-3-yl]ethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-[(E)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethenyl]pyrrolo[3,2-b]pyridin-3-yl]ethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-propoxypyrrolo[3,2-b]pyridin-3-yl]ethanone?

The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-3-yl]ethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-[(E)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethenyl]pyrrolo[3,2-b]pyridin-3-yl]ethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-propoxypyrrolo[3,2-b]pyridin-3-yl]ethanone is [C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCC(O)CC3)c3ncc(/C=C/c4nnc(C)o4)cc32)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCC(O)CC3)c3ncc(C)cc32)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCC(O)CC3)c3ncc(OCCC)cc32)cc1.

What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-3-yl]ethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-[(E)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethenyl]pyrrolo[3,2-b]pyridin-3-yl]ethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-propoxypyrrolo[3,2-b]pyridin-3-yl]ethanone?

The InChIKey is JICNWXGBHKRJLQ-HPJBNNNXSA-N. The full InChI is InChI=1S/C27H26N6O3.C25H28N4O3.C23H24N4O2/c1-17-26(24(35)16-32-12-10-22(34)11-13-32)27-23(33(17)21-7-5-20(28-3)6-8-21)14-19(15-29-27)4-9-25-31-30-18(2)36-25;1-4-13-32-21-14-22-25(27-15-21)24(23(31)16-28-11-9-20(30)10-12-28)17(2)29(22)19-7-5-18(26-3)6-8-19;1-15-12-20-23(25-13-15)22(21(29)14-26-10-8-19(28)9-11-26)16(2)27(20)18-6-4-17(24-3)5-7-18/h4-9,14-15,22,34H,10-13,16H2,1-2H3;5-8,14-15,20,30H,4,9-13,16H2,1-2H3;4-7,12-13,19,28H,8-11,14H2,1-2H3/b9-4+;;.

What are the key properties of 2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-3-yl]ethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-[(E)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethenyl]pyrrolo[3,2-b]pyridin-3-yl]ethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-propoxypyrrolo[3,2-b]pyridin-3-yl]ethanone?

2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-3-yl]ethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-[(E)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethenyl]pyrrolo[3,2-b]pyridin-3-yl]ethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-propoxypyrrolo[3,2-b]pyridin-3-yl]ethanone has a molecular weight of 1303.54 g/mol, XLogP of 12.53, 17 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-3-yl]ethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-[(E)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethenyl]pyrrolo[3,2-b]pyridin-3-yl]ethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-propoxypyrrolo[3,2-b]pyridin-3-yl]ethanone is sourced from PubChem (CID 163677694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).