5-[(1-acetylpiperidin-4-yl)-ethylamino]-2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;[5-[(1-acetylpiperidin-4-yl)-ethylamino]-2-bromo-6-methylindolizin-7-yl] formate;[2-bromo-5-[ethyl(piperidin-4-yl)amino]-6-methylindolizin-7-yl] formate;tert-butyl 4-[(2-bromo-7-formyloxy-6-methylindolizin-5-yl)-ethylamino]piperidine-1-carboxylate;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide

C93H120Br4ClN16O13- — CID 161412635

About 5-[(1-acetylpiperidin-4-yl)-ethylamino]-2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;[5-[(1-acetylpiperidin-4-yl)-ethylamino]-2-bromo-6-methylindolizin-7-yl] formate;[2-bromo-5-[ethyl(piperidin-4-yl)amino]-6-methylindolizin-7-yl] formate;tert-butyl 4-[(2-bromo-7-formyloxy-6-methylindolizin-5-yl)-ethylamino]piperidine-1-carboxylate;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide

5-[(1-acetylpiperidin-4-yl)-ethylamino]-2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;[5-[(1-acetylpiperidin-4-yl)-ethylamino]-2-bromo-6-methylindolizin-7-yl] formate;[2-bromo-5-[ethyl(piperidin-4-yl)amino]-6-methylindolizin-7-yl] formate;tert-butyl 4-[(2-bromo-7-formyloxy-6-methylindolizin-5-yl)-ethylamino]piperidine-1-carboxylate;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide (PubChem CID 161412635) has the molecular formula C93H120Br4ClN16O13- and a molecular weight of 2025.15 g/mol. Its IUPAC name is 5-[(1-acetylpiperidin-4-yl)-ethylamino]-2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;[5-[(1-acetylpiperidin-4-yl)-ethylamino]-2-bromo-6-methylindolizin-7-yl] formate;[2-bromo-5-[ethyl(piperidin-4-yl)amino]-6-methylindolizin-7-yl] formate;tert-butyl 4-[(2-bromo-7-formyloxy-6-methylindolizin-5-yl)-ethylamino]piperidine-1-carboxylate;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide.

Molecular Properties

• Compound Name: 5-[(1-acetylpiperidin-4-yl)-ethylamino]-2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;[5-[(1-acetylpiperidin-4-yl)-ethylamino]-2-bromo-6-methylindolizin-7-yl] formate;[2-bromo-5-[ethyl(piperidin-4-yl)amino]-6-methylindolizin-7-yl] formate;tert-butyl 4-[(2-bromo-7-formyloxy-6-methylindolizin-5-yl)-ethylamino]piperidine-1-carboxylate;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide
• PubChem CID: 161412635
• Molecular Formula: C93H120Br4ClN16O13-
• Molecular Weight: 2025.15 g/mol
• Exact Mass: 2019.56
• IUPAC Name: 5-[(1-acetylpiperidin-4-yl)-ethylamino]-2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;[5-[(1-acetylpiperidin-4-yl)-ethylamino]-2-bromo-6-methylindolizin-7-yl] formate;[2-bromo-5-[ethyl(piperidin-4-yl)amino]-6-methylindolizin-7-yl] formate;tert-butyl 4-[(2-bromo-7-formyloxy-6-methylindolizin-5-yl)-ethylamino]piperidine-1-carboxylate;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide
• SMILES: CCN(c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2cc(Br)cn12)C1CCN(C(C)=O)CC1.CCN(c1c(C)c(OC=O)cc2cc(Br)cn12)C1CCN(C(=O)OC(C)(C)C)CC1.CCN(c1c(C)c(OC=O)cc2cc(Br)cn12)C1CCN(C(C)=O)CC1.CCN(c1c(C)c(OC=O)cc2cc(Br)cn12)C1CCNCC1.Cc1cc(C)c(C[N-]Cl)c(=O)[nH]1
• InChI: InChI=1S/C27H34BrN5O3.C22H30BrN3O4.C19H24BrN3O3.C17H22BrN3O2.C8H10ClN2O/c1-6-32(21-7-9-31(10-8-21)19(5)34)27-18(4)23(13-22-12-20(28)15-33(22)27)25(35)29-14-24-16(2)11-17(3)30-26(24)36;1-6-25(17-7-9-24(10-8-17)21(28)30-22(3,4)5)20-15(2)19(29-14-27)12-18-11-16(23)13-26(18)20;1-4-22(16-5-7-21(8-6-16)14(3)25)19-13(2)18(26-12-24)10-17-9-15(20)11-23(17)19;1-3-20(14-4-6-19-7-5-14)17-12(2)16(23-11-22)9-15-8-13(18)10-21(15)17;1-5-3-6(2)11-8(12)7(5)4-10-9/h11-13,15,21H,6-10,14H2,1-5H3,(H,29,35)(H,30,36);11-14,17H,6-10H2,1-5H3;9-12,16H,4-8H2,1-3H3;8-11,14,19H,3-7H2,1-2H3;3H,4H2,1-2H3,(H,11,12)/q;;;;-1
• InChIKey: VVRFJUYNYDUMRY-UHFFFAOYSA-N
• XLogP: 17.38
• TPSA: 300.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 23
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2025.15
LogP ≤ 5	17.38
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(1-acetylpiperidin-4-yl)-ethylamino]-2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;[5-[(1-acetylpiperidin-4-yl)-ethylamino]-2-bromo-6-methylindolizin-7-yl] formate;[2-bromo-5-[ethyl(piperidin-4-yl)amino]-6-methylindolizin-7-yl] formate;tert-butyl 4-[(2-bromo-7-formyloxy-6-methylindolizin-5-yl)-ethylamino]piperidine-1-carboxylate;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide?

The IUPAC name of 5-[(1-acetylpiperidin-4-yl)-ethylamino]-2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;[5-[(1-acetylpiperidin-4-yl)-ethylamino]-2-bromo-6-methylindolizin-7-yl] formate;[2-bromo-5-[ethyl(piperidin-4-yl)amino]-6-methylindolizin-7-yl] formate;tert-butyl 4-[(2-bromo-7-formyloxy-6-methylindolizin-5-yl)-ethylamino]piperidine-1-carboxylate;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide (CID 161412635) is 5-[(1-acetylpiperidin-4-yl)-ethylamino]-2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;[5-[(1-acetylpiperidin-4-yl)-ethylamino]-2-bromo-6-methylindolizin-7-yl] formate;[2-bromo-5-[ethyl(piperidin-4-yl)amino]-6-methylindolizin-7-yl] formate;tert-butyl 4-[(2-bromo-7-formyloxy-6-methylindolizin-5-yl)-ethylamino]piperidine-1-carboxylate;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide.

What is the SMILES notation for 5-[(1-acetylpiperidin-4-yl)-ethylamino]-2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;[5-[(1-acetylpiperidin-4-yl)-ethylamino]-2-bromo-6-methylindolizin-7-yl] formate;[2-bromo-5-[ethyl(piperidin-4-yl)amino]-6-methylindolizin-7-yl] formate;tert-butyl 4-[(2-bromo-7-formyloxy-6-methylindolizin-5-yl)-ethylamino]piperidine-1-carboxylate;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide?

The canonical SMILES for 5-[(1-acetylpiperidin-4-yl)-ethylamino]-2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;[5-[(1-acetylpiperidin-4-yl)-ethylamino]-2-bromo-6-methylindolizin-7-yl] formate;[2-bromo-5-[ethyl(piperidin-4-yl)amino]-6-methylindolizin-7-yl] formate;tert-butyl 4-[(2-bromo-7-formyloxy-6-methylindolizin-5-yl)-ethylamino]piperidine-1-carboxylate;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide is CCN(c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2cc(Br)cn12)C1CCN(C(C)=O)CC1.CCN(c1c(C)c(OC=O)cc2cc(Br)cn12)C1CCN(C(=O)OC(C)(C)C)CC1.CCN(c1c(C)c(OC=O)cc2cc(Br)cn12)C1CCN(C(C)=O)CC1.CCN(c1c(C)c(OC=O)cc2cc(Br)cn12)C1CCNCC1.Cc1cc(C)c(C[N-]Cl)c(=O)[nH]1.

What is the InChIKey of 5-[(1-acetylpiperidin-4-yl)-ethylamino]-2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;[5-[(1-acetylpiperidin-4-yl)-ethylamino]-2-bromo-6-methylindolizin-7-yl] formate;[2-bromo-5-[ethyl(piperidin-4-yl)amino]-6-methylindolizin-7-yl] formate;tert-butyl 4-[(2-bromo-7-formyloxy-6-methylindolizin-5-yl)-ethylamino]piperidine-1-carboxylate;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide?

The InChIKey is VVRFJUYNYDUMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34BrN5O3.C22H30BrN3O4.C19H24BrN3O3.C17H22BrN3O2.C8H10ClN2O/c1-6-32(21-7-9-31(10-8-21)19(5)34)27-18(4)23(13-22-12-20(28)15-33(22)27)25(35)29-14-24-16(2)11-17(3)30-26(24)36;1-6-25(17-7-9-24(10-8-17)21(28)30-22(3,4)5)20-15(2)19(29-14-27)12-18-11-16(23)13-26(18)20;1-4-22(16-5-7-21(8-6-16)14(3)25)19-13(2)18(26-12-24)10-17-9-15(20)11-23(17)19;1-3-20(14-4-6-19-7-5-14)17-12(2)16(23-11-22)9-15-8-13(18)10-21(15)17;1-5-3-6(2)11-8(12)7(5)4-10-9/h11-13,15,21H,6-10,14H2,1-5H3,(H,29,35)(H,30,36);11-14,17H,6-10H2,1-5H3;9-12,16H,4-8H2,1-3H3;8-11,14,19H,3-7H2,1-2H3;3H,4H2,1-2H3,(H,11,12)/q;;;;-1.

What are the key properties of 5-[(1-acetylpiperidin-4-yl)-ethylamino]-2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;[5-[(1-acetylpiperidin-4-yl)-ethylamino]-2-bromo-6-methylindolizin-7-yl] formate;[2-bromo-5-[ethyl(piperidin-4-yl)amino]-6-methylindolizin-7-yl] formate;tert-butyl 4-[(2-bromo-7-formyloxy-6-methylindolizin-5-yl)-ethylamino]piperidine-1-carboxylate;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide?

5-[(1-acetylpiperidin-4-yl)-ethylamino]-2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;[5-[(1-acetylpiperidin-4-yl)-ethylamino]-2-bromo-6-methylindolizin-7-yl] formate;[2-bromo-5-[ethyl(piperidin-4-yl)amino]-6-methylindolizin-7-yl] formate;tert-butyl 4-[(2-bromo-7-formyloxy-6-methylindolizin-5-yl)-ethylamino]piperidine-1-carboxylate;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide has a molecular weight of 2025.15 g/mol, XLogP of 17.38, 23 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1-acetylpiperidin-4-yl)-ethylamino]-2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;[5-[(1-acetylpiperidin-4-yl)-ethylamino]-2-bromo-6-methylindolizin-7-yl] formate;[2-bromo-5-[ethyl(piperidin-4-yl)amino]-6-methylindolizin-7-yl] formate;tert-butyl 4-[(2-bromo-7-formyloxy-6-methylindolizin-5-yl)-ethylamino]piperidine-1-carboxylate;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide is sourced from PubChem (CID 161412635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).