4-(4-aminopiperidin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;4-(4-aminopiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2,3-dione;tert-butyl N-[1-(2,3-dioxo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]carbamate;tert-butyl N-[1-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]carbamate;4-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;4-chloro-1H-pyrrolo[2,3-b]pyridine;3,3-dibromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-2-one;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine

C93H101Br2Cl3N26O13 — CID 159768887

About 4-(4-aminopiperidin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;4-(4-aminopiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2,3-dione;tert-butyl N-[1-(2,3-dioxo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]carbamate;tert-butyl N-[1-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]carbamate;4-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;4-chloro-1H-pyrrolo[2,3-b]pyridine;3,3-dibromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-2-one;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine

4-(4-aminopiperidin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;4-(4-aminopiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2,3-dione;tert-butyl N-[1-(2,3-dioxo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]carbamate;tert-butyl N-[1-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]carbamate;4-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;4-chloro-1H-pyrrolo[2,3-b]pyridine;3,3-dibromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-2-one;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine (PubChem CID 159768887) has the molecular formula C93H101Br2Cl3N26O13 and a molecular weight of 2057.17 g/mol. Its IUPAC name is 4-(4-aminopiperidin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;4-(4-aminopiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2,3-dione;tert-butyl N-[1-(2,3-dioxo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]carbamate;tert-butyl N-[1-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]carbamate;4-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;4-chloro-1H-pyrrolo[2,3-b]pyridine;3,3-dibromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-2-one;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 4-(4-aminopiperidin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;4-(4-aminopiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2,3-dione;tert-butyl N-[1-(2,3-dioxo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]carbamate;tert-butyl N-[1-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]carbamate;4-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;4-chloro-1H-pyrrolo[2,3-b]pyridine;3,3-dibromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-2-one;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 159768887
• Molecular Formula: C93H101Br2Cl3N26O13
• Molecular Weight: 2057.17 g/mol
• Exact Mass: 2052.55
• IUPAC Name: 4-(4-aminopiperidin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;4-(4-aminopiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2,3-dione;tert-butyl N-[1-(2,3-dioxo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]carbamate;tert-butyl N-[1-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]carbamate;4-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;4-chloro-1H-pyrrolo[2,3-b]pyridine;3,3-dibromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-2-one;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine
• SMILES: CC(C)(C)OC(=O)NC1CCN(c2ccnc3c2C(=O)C(=O)N3)CC1.CC(C)(C)OC(=O)NC1CCN(c2ccnc3c2CC(=O)N3)CC1.Clc1ccnc2[nH]ccc12.NC1CCN(c2ccnc3c2C(=O)C(=O)N3)CC1.NC1CCN(c2ccnc3c2CC(=O)N3)CC1.O=C1Cc2c(Cl)ccnc2N1.O=C1Nc2nccc(Cl)c2C1(Br)Br.On1cccc2ccnc1-2.c1cnc2[nH]ccc2c1
• InChI: InChI=1S/C17H22N4O4.C17H24N4O3.C12H14N4O2.C12H16N4O.C7H3Br2ClN2O.C7H5ClN2O.C7H5ClN2.C7H6N2O.C7H6N2/c1-17(2,3)25-16(24)19-10-5-8-21(9-6-10)11-4-7-18-14-12(11)13(22)15(23)20-14;1-17(2,3)24-16(23)19-11-5-8-21(9-6-11)13-4-7-18-15-12(13)10-14(22)20-15;13-7-2-5-16(6-3-7)8-1-4-14-11-9(8)10(17)12(18)15-11;13-8-2-5-16(6-3-8)10-1-4-14-12-9(10)7-11(17)15-12;8-7(9)4-3(10)1-2-11-5(4)12-6(7)13;8-5-1-2-9-7-4(5)3-6(11)10-7;8-6-2-4-10-7-5(6)1-3-9-7;10-9-5-1-2-6-3-4-8-7(6)9;1-2-6-3-5-9-7(6)8-4-1/h4,7,10H,5-6,8-9H2,1-3H3,(H,19,24)(H,18,20,22,23);4,7,11H,5-6,8-10H2,1-3H3,(H,19,23)(H,18,20,22);1,4,7H,2-3,5-6,13H2,(H,14,15,17,18);1,4,8H,2-3,5-7,13H2,(H,14,15,17);1-2H,(H,11,12,13);1-2H,3H2,(H,9,10,11);1-4H,(H,9,10);1-5,10H;1-5H,(H,8,9)
• InChIKey: BBLAJZMABVVPDK-UHFFFAOYSA-N
• XLogP: 13.29
• TPSA: 523.15 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 29
• Rotatable Bonds: 6
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2057.17
LogP ≤ 5	13.29
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopiperidin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;4-(4-aminopiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2,3-dione;tert-butyl N-[1-(2,3-dioxo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]carbamate;tert-butyl N-[1-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]carbamate;4-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;4-chloro-1H-pyrrolo[2,3-b]pyridine;3,3-dibromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-2-one;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 4-(4-aminopiperidin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;4-(4-aminopiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2,3-dione;tert-butyl N-[1-(2,3-dioxo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]carbamate;tert-butyl N-[1-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]carbamate;4-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;4-chloro-1H-pyrrolo[2,3-b]pyridine;3,3-dibromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-2-one;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine (CID 159768887) is 4-(4-aminopiperidin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;4-(4-aminopiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2,3-dione;tert-butyl N-[1-(2,3-dioxo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]carbamate;tert-butyl N-[1-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]carbamate;4-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;4-chloro-1H-pyrrolo[2,3-b]pyridine;3,3-dibromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-2-one;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 4-(4-aminopiperidin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;4-(4-aminopiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2,3-dione;tert-butyl N-[1-(2,3-dioxo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]carbamate;tert-butyl N-[1-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]carbamate;4-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;4-chloro-1H-pyrrolo[2,3-b]pyridine;3,3-dibromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-2-one;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 4-(4-aminopiperidin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;4-(4-aminopiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2,3-dione;tert-butyl N-[1-(2,3-dioxo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]carbamate;tert-butyl N-[1-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]carbamate;4-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;4-chloro-1H-pyrrolo[2,3-b]pyridine;3,3-dibromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-2-one;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine is CC(C)(C)OC(=O)NC1CCN(c2ccnc3c2C(=O)C(=O)N3)CC1.CC(C)(C)OC(=O)NC1CCN(c2ccnc3c2CC(=O)N3)CC1.Clc1ccnc2[nH]ccc12.NC1CCN(c2ccnc3c2C(=O)C(=O)N3)CC1.NC1CCN(c2ccnc3c2CC(=O)N3)CC1.O=C1Cc2c(Cl)ccnc2N1.O=C1Nc2nccc(Cl)c2C1(Br)Br.On1cccc2ccnc1-2.c1cnc2[nH]ccc2c1.

What is the InChIKey of 4-(4-aminopiperidin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;4-(4-aminopiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2,3-dione;tert-butyl N-[1-(2,3-dioxo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]carbamate;tert-butyl N-[1-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]carbamate;4-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;4-chloro-1H-pyrrolo[2,3-b]pyridine;3,3-dibromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-2-one;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine?

The InChIKey is BBLAJZMABVVPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4.C17H24N4O3.C12H14N4O2.C12H16N4O.C7H3Br2ClN2O.C7H5ClN2O.C7H5ClN2.C7H6N2O.C7H6N2/c1-17(2,3)25-16(24)19-10-5-8-21(9-6-10)11-4-7-18-14-12(11)13(22)15(23)20-14;1-17(2,3)24-16(23)19-11-5-8-21(9-6-11)13-4-7-18-15-12(13)10-14(22)20-15;13-7-2-5-16(6-3-7)8-1-4-14-11-9(8)10(17)12(18)15-11;13-8-2-5-16(6-3-8)10-1-4-14-12-9(10)7-11(17)15-12;8-7(9)4-3(10)1-2-11-5(4)12-6(7)13;8-5-1-2-9-7-4(5)3-6(11)10-7;8-6-2-4-10-7-5(6)1-3-9-7;10-9-5-1-2-6-3-4-8-7(6)9;1-2-6-3-5-9-7(6)8-4-1/h4,7,10H,5-6,8-9H2,1-3H3,(H,19,24)(H,18,20,22,23);4,7,11H,5-6,8-10H2,1-3H3,(H,19,23)(H,18,20,22);1,4,7H,2-3,5-6,13H2,(H,14,15,17,18);1,4,8H,2-3,5-7,13H2,(H,14,15,17);1-2H,(H,11,12,13);1-2H,3H2,(H,9,10,11);1-4H,(H,9,10);1-5,10H;1-5H,(H,8,9).

What are the key properties of 4-(4-aminopiperidin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;4-(4-aminopiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2,3-dione;tert-butyl N-[1-(2,3-dioxo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]carbamate;tert-butyl N-[1-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]carbamate;4-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;4-chloro-1H-pyrrolo[2,3-b]pyridine;3,3-dibromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-2-one;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine?

4-(4-aminopiperidin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;4-(4-aminopiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2,3-dione;tert-butyl N-[1-(2,3-dioxo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]carbamate;tert-butyl N-[1-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]carbamate;4-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;4-chloro-1H-pyrrolo[2,3-b]pyridine;3,3-dibromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-2-one;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine has a molecular weight of 2057.17 g/mol, XLogP of 13.29, 6 rotatable bonds, 13 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-aminopiperidin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;4-(4-aminopiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2,3-dione;tert-butyl N-[1-(2,3-dioxo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]carbamate;tert-butyl N-[1-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]carbamate;4-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;4-chloro-1H-pyrrolo[2,3-b]pyridine;3,3-dibromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-2-one;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 159768887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).