1-(6-bromo-3-pyridinyl)piperidin-4-ol;tert-butyl 4-amino-7-chloro-1-methyl-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-7-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-3-oxo-1H-isoindole-2-carboxylate;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-3-methyl-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine

C121H142BBrCl2N22O16 — CID 158548927

About 1-(6-bromo-3-pyridinyl)piperidin-4-ol;tert-butyl 4-amino-7-chloro-1-methyl-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-7-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-3-oxo-1H-isoindole-2-carboxylate;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-3-methyl-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine

1-(6-bromo-3-pyridinyl)piperidin-4-ol;tert-butyl 4-amino-7-chloro-1-methyl-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-7-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-3-oxo-1H-isoindole-2-carboxylate;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-3-methyl-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine (PubChem CID 158548927) has the molecular formula C121H142BBrCl2N22O16 and a molecular weight of 2322.23 g/mol. Its IUPAC name is 1-(6-bromo-3-pyridinyl)piperidin-4-ol;tert-butyl 4-amino-7-chloro-1-methyl-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-7-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-3-oxo-1H-isoindole-2-carboxylate;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-3-methyl-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 1-(6-bromo-3-pyridinyl)piperidin-4-ol;tert-butyl 4-amino-7-chloro-1-methyl-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-7-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-3-oxo-1H-isoindole-2-carboxylate;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-3-methyl-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
• PubChem CID: 158548927
• Molecular Formula: C121H142BBrCl2N22O16
• Molecular Weight: 2322.23 g/mol
• Exact Mass: 2318.96
• IUPAC Name: 1-(6-bromo-3-pyridinyl)piperidin-4-ol;tert-butyl 4-amino-7-chloro-1-methyl-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-7-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-3-oxo-1H-isoindole-2-carboxylate;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-3-methyl-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
• SMILES: CC1NC(=O)c2c(Nc3ccc(N4CCC(O)CC4)cn3)ccc(-c3ccnc4c3ccn4C)c21.CC1c2c(-c3ccnc4c3ccn4C)ccc(Nc3ccc(N4CCC(O)CC4)cn3)c2C(=O)N1C(=O)OC(C)(C)C.CC1c2c(Cl)ccc(N)c2C(=O)N1C(=O)OC(C)(C)C.CC1c2c(Cl)ccc(Nc3ccc(N4CCC(O)CC4)cn3)c2C(=O)N1C(=O)OC(C)(C)C.Cn1ccc2c(B3OC(C)(C)C(C)(C)O3)ccnc21.OC1CCN(c2ccc(Br)nc2)CC1
• InChI: InChI=1S/C32H36N6O4.C27H28N6O2.C24H29ClN4O4.C14H19BN2O2.C14H17ClN2O3.C10H13BrN2O/c1-19-27-23(22-10-14-33-29-24(22)13-15-36(29)5)7-8-25(28(27)30(40)38(19)31(41)42-32(2,3)4)35-26-9-6-20(18-34-26)37-16-11-21(39)12-17-37;1-16-24-20(19-7-11-28-26-21(19)10-12-32(26)2)4-5-22(25(24)27(35)30-16)31-23-6-3-17(15-29-23)33-13-8-18(34)9-14-33;1-14-20-17(25)6-7-18(21(20)22(31)29(14)23(32)33-24(2,3)4)27-19-8-5-15(13-26-19)28-11-9-16(30)10-12-28;1-13(2)14(3,4)19-15(18-13)11-6-8-16-12-10(11)7-9-17(12)5;1-7-10-8(15)5-6-9(16)11(10)12(18)17(7)13(19)20-14(2,3)4;11-10-2-1-8(7-12-10)13-5-3-9(14)4-6-13/h6-10,13-15,18-19,21,39H,11-12,16-17H2,1-5H3,(H,34,35);3-7,10-12,15-16,18,34H,8-9,13-14H2,1-2H3,(H,29,31)(H,30,35);5-8,13-14,16,30H,9-12H2,1-4H3,(H,26,27);6-9H,1-5H3;5-7H,16H2,1-4H3;1-2,7,9,14H,3-6H2
• InChIKey: HPLYHJHGIUPTPM-UHFFFAOYSA-N
• XLogP: 21.88
• TPSA: 448.40 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 34
• Rotatable Bonds: 13
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2322.23
LogP ≤ 5	21.88
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-3-pyridinyl)piperidin-4-ol;tert-butyl 4-amino-7-chloro-1-methyl-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-7-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-3-oxo-1H-isoindole-2-carboxylate;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-3-methyl-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine?

The IUPAC name of 1-(6-bromo-3-pyridinyl)piperidin-4-ol;tert-butyl 4-amino-7-chloro-1-methyl-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-7-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-3-oxo-1H-isoindole-2-carboxylate;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-3-methyl-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine (CID 158548927) is 1-(6-bromo-3-pyridinyl)piperidin-4-ol;tert-butyl 4-amino-7-chloro-1-methyl-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-7-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-3-oxo-1H-isoindole-2-carboxylate;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-3-methyl-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 1-(6-bromo-3-pyridinyl)piperidin-4-ol;tert-butyl 4-amino-7-chloro-1-methyl-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-7-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-3-oxo-1H-isoindole-2-carboxylate;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-3-methyl-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine?

The canonical SMILES for 1-(6-bromo-3-pyridinyl)piperidin-4-ol;tert-butyl 4-amino-7-chloro-1-methyl-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-7-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-3-oxo-1H-isoindole-2-carboxylate;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-3-methyl-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine is CC1NC(=O)c2c(Nc3ccc(N4CCC(O)CC4)cn3)ccc(-c3ccnc4c3ccn4C)c21.CC1c2c(-c3ccnc4c3ccn4C)ccc(Nc3ccc(N4CCC(O)CC4)cn3)c2C(=O)N1C(=O)OC(C)(C)C.CC1c2c(Cl)ccc(N)c2C(=O)N1C(=O)OC(C)(C)C.CC1c2c(Cl)ccc(Nc3ccc(N4CCC(O)CC4)cn3)c2C(=O)N1C(=O)OC(C)(C)C.Cn1ccc2c(B3OC(C)(C)C(C)(C)O3)ccnc21.OC1CCN(c2ccc(Br)nc2)CC1.

What is the InChIKey of 1-(6-bromo-3-pyridinyl)piperidin-4-ol;tert-butyl 4-amino-7-chloro-1-methyl-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-7-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-3-oxo-1H-isoindole-2-carboxylate;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-3-methyl-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine?

The InChIKey is HPLYHJHGIUPTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N6O4.C27H28N6O2.C24H29ClN4O4.C14H19BN2O2.C14H17ClN2O3.C10H13BrN2O/c1-19-27-23(22-10-14-33-29-24(22)13-15-36(29)5)7-8-25(28(27)30(40)38(19)31(41)42-32(2,3)4)35-26-9-6-20(18-34-26)37-16-11-21(39)12-17-37;1-16-24-20(19-7-11-28-26-21(19)10-12-32(26)2)4-5-22(25(24)27(35)30-16)31-23-6-3-17(15-29-23)33-13-8-18(34)9-14-33;1-14-20-17(25)6-7-18(21(20)22(31)29(14)23(32)33-24(2,3)4)27-19-8-5-15(13-26-19)28-11-9-16(30)10-12-28;1-13(2)14(3,4)19-15(18-13)11-6-8-16-12-10(11)7-9-17(12)5;1-7-10-8(15)5-6-9(16)11(10)12(18)17(7)13(19)20-14(2,3)4;11-10-2-1-8(7-12-10)13-5-3-9(14)4-6-13/h6-10,13-15,18-19,21,39H,11-12,16-17H2,1-5H3,(H,34,35);3-7,10-12,15-16,18,34H,8-9,13-14H2,1-2H3,(H,29,31)(H,30,35);5-8,13-14,16,30H,9-12H2,1-4H3,(H,26,27);6-9H,1-5H3;5-7H,16H2,1-4H3;1-2,7,9,14H,3-6H2.

What are the key properties of 1-(6-bromo-3-pyridinyl)piperidin-4-ol;tert-butyl 4-amino-7-chloro-1-methyl-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-7-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-3-oxo-1H-isoindole-2-carboxylate;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-3-methyl-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine?

1-(6-bromo-3-pyridinyl)piperidin-4-ol;tert-butyl 4-amino-7-chloro-1-methyl-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-7-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-3-oxo-1H-isoindole-2-carboxylate;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-3-methyl-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine has a molecular weight of 2322.23 g/mol, XLogP of 21.88, 13 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-bromo-3-pyridinyl)piperidin-4-ol;tert-butyl 4-amino-7-chloro-1-methyl-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-7-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-3-oxo-1H-isoindole-2-carboxylate;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-3-methyl-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158548927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).