dipotassium;6-bromo-2-iodoquinazoline;5-bromo-1-methylpyrazol-3-amine;tert-butyl 4-[[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-bromoquinazolin-2-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[(6-bromoquinazolin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonyl-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]piperidine-1-carboxylate;hydride;oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C132H190B3Br4IK2N26O25 — CID 158096564

About dipotassium;6-bromo-2-iodoquinazoline;5-bromo-1-methylpyrazol-3-amine;tert-butyl 4-[[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-bromoquinazolin-2-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[(6-bromoquinazolin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonyl-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]piperidine-1-carboxylate;hydride;oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

dipotassium;6-bromo-2-iodoquinazoline;5-bromo-1-methylpyrazol-3-amine;tert-butyl 4-[[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-bromoquinazolin-2-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[(6-bromoquinazolin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonyl-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]piperidine-1-carboxylate;hydride;oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158096564) has the molecular formula C132H190B3Br4IK2N26O25 and a molecular weight of 3098.28 g/mol. Its IUPAC name is dipotassium;6-bromo-2-iodoquinazoline;5-bromo-1-methylpyrazol-3-amine;tert-butyl 4-[[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-bromoquinazolin-2-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[(6-bromoquinazolin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonyl-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]piperidine-1-carboxylate;hydride;oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: dipotassium;6-bromo-2-iodoquinazoline;5-bromo-1-methylpyrazol-3-amine;tert-butyl 4-[[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-bromoquinazolin-2-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[(6-bromoquinazolin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonyl-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]piperidine-1-carboxylate;hydride;oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 158096564
• Molecular Formula: C132H190B3Br4IK2N26O25
• Molecular Weight: 3098.28 g/mol
• Exact Mass: 3092.97
• IUPAC Name: dipotassium;6-bromo-2-iodoquinazoline;5-bromo-1-methylpyrazol-3-amine;tert-butyl 4-[[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-bromoquinazolin-2-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[(6-bromoquinazolin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonyl-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]piperidine-1-carboxylate;hydride;oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: Brc1ccc2nc(I)ncc2c1.CC(C)(C)OC(=O)N1CCC(N(C(=O)OC(C)(C)C)c2ncc3cc(B4OC(C)(C)C(C)(C)O4)ccc3n2)CC1.CC(C)(C)OC(=O)N1CCC(N(C(=O)OC(C)(C)C)c2ncc3cc(Br)ccc3n2)CC1.CC(C)(C)OC(=O)N1CCC(N)CC1.CC(C)(C)OC(=O)N1CCC(Nc2ncc3cc(Br)ccc3n2)CC1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cn1nc(N)cc1-c1ccc2nc(N(C(=O)OC(C)(C)C)C3CCN(C(=O)OC(C)(C)C)CC3)ncc2c1.Cn1nc(N)cc1Br.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C29H43BN4O6.C27H37N7O4.C23H31BrN4O4.C18H23BrN4O2.C12H24B2O4.C10H20N2O2.C8H4BrIN2.C4H6BrN3.CH2O3.2K.H/c1-26(2,3)37-24(35)33-15-13-21(14-16-33)34(25(36)38-27(4,5)6)23-31-18-19-17-20(11-12-22(19)32-23)30-39-28(7,8)29(9,10)40-30;1-26(2,3)37-24(35)33-12-10-19(11-13-33)34(25(36)38-27(4,5)6)23-29-16-18-14-17(8-9-20(18)30-23)21-15-22(28)31-32(21)7;1-22(2,3)31-20(29)27-11-9-17(10-12-27)28(21(30)32-23(4,5)6)19-25-14-15-13-16(24)7-8-18(15)26-19;1-18(2,3)25-17(24)23-8-6-14(7-9-23)21-16-20-11-12-10-13(19)4-5-15(12)22-16;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;9-6-1-2-7-5(3-6)4-11-8(10)12-7;1-8-3(5)2-4(6)7-8;2-1-4-3;;;/h11-12,17-18,21H,13-16H2,1-10H3;8-9,14-16,19H,10-13H2,1-7H3,(H2,28,31);7-8,13-14,17H,9-12H2,1-6H3;4-5,10-11,14H,6-9H2,1-3H3,(H,20,21,22);1-8H3;8H,4-7,11H2,1-3H3;1-4H;2H,1H3,(H2,6,7);1,3H;;;/q;;;;;;;;;2*+1;-1/p-1
• InChIKey: IJTMWMWVKJKSAO-UHFFFAOYSA-M
• XLogP: 19.47
• TPSA: 595.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 43
• Rotatable Bonds: 12
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3098.28
LogP ≤ 5	19.47
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;6-bromo-2-iodoquinazoline;5-bromo-1-methylpyrazol-3-amine;tert-butyl 4-[[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-bromoquinazolin-2-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[(6-bromoquinazolin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonyl-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]piperidine-1-carboxylate;hydride;oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of dipotassium;6-bromo-2-iodoquinazoline;5-bromo-1-methylpyrazol-3-amine;tert-butyl 4-[[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-bromoquinazolin-2-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[(6-bromoquinazolin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonyl-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]piperidine-1-carboxylate;hydride;oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158096564) is dipotassium;6-bromo-2-iodoquinazoline;5-bromo-1-methylpyrazol-3-amine;tert-butyl 4-[[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-bromoquinazolin-2-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[(6-bromoquinazolin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonyl-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]piperidine-1-carboxylate;hydride;oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for dipotassium;6-bromo-2-iodoquinazoline;5-bromo-1-methylpyrazol-3-amine;tert-butyl 4-[[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-bromoquinazolin-2-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[(6-bromoquinazolin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonyl-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]piperidine-1-carboxylate;hydride;oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for dipotassium;6-bromo-2-iodoquinazoline;5-bromo-1-methylpyrazol-3-amine;tert-butyl 4-[[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-bromoquinazolin-2-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[(6-bromoquinazolin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonyl-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]piperidine-1-carboxylate;hydride;oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1ccc2nc(I)ncc2c1.CC(C)(C)OC(=O)N1CCC(N(C(=O)OC(C)(C)C)c2ncc3cc(B4OC(C)(C)C(C)(C)O4)ccc3n2)CC1.CC(C)(C)OC(=O)N1CCC(N(C(=O)OC(C)(C)C)c2ncc3cc(Br)ccc3n2)CC1.CC(C)(C)OC(=O)N1CCC(N)CC1.CC(C)(C)OC(=O)N1CCC(Nc2ncc3cc(Br)ccc3n2)CC1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cn1nc(N)cc1-c1ccc2nc(N(C(=O)OC(C)(C)C)C3CCN(C(=O)OC(C)(C)C)CC3)ncc2c1.Cn1nc(N)cc1Br.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;6-bromo-2-iodoquinazoline;5-bromo-1-methylpyrazol-3-amine;tert-butyl 4-[[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-bromoquinazolin-2-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[(6-bromoquinazolin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonyl-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]piperidine-1-carboxylate;hydride;oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is IJTMWMWVKJKSAO-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H43BN4O6.C27H37N7O4.C23H31BrN4O4.C18H23BrN4O2.C12H24B2O4.C10H20N2O2.C8H4BrIN2.C4H6BrN3.CH2O3.2K.H/c1-26(2,3)37-24(35)33-15-13-21(14-16-33)34(25(36)38-27(4,5)6)23-31-18-19-17-20(11-12-22(19)32-23)30-39-28(7,8)29(9,10)40-30;1-26(2,3)37-24(35)33-12-10-19(11-13-33)34(25(36)38-27(4,5)6)23-29-16-18-14-17(8-9-20(18)30-23)21-15-22(28)31-32(21)7;1-22(2,3)31-20(29)27-11-9-17(10-12-27)28(21(30)32-23(4,5)6)19-25-14-15-13-16(24)7-8-18(15)26-19;1-18(2,3)25-17(24)23-8-6-14(7-9-23)21-16-20-11-12-10-13(19)4-5-15(12)22-16;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;9-6-1-2-7-5(3-6)4-11-8(10)12-7;1-8-3(5)2-4(6)7-8;2-1-4-3;;;/h11-12,17-18,21H,13-16H2,1-10H3;8-9,14-16,19H,10-13H2,1-7H3,(H2,28,31);7-8,13-14,17H,9-12H2,1-6H3;4-5,10-11,14H,6-9H2,1-3H3,(H,20,21,22);1-8H3;8H,4-7,11H2,1-3H3;1-4H;2H,1H3,(H2,6,7);1,3H;;;/q;;;;;;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;6-bromo-2-iodoquinazoline;5-bromo-1-methylpyrazol-3-amine;tert-butyl 4-[[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-bromoquinazolin-2-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[(6-bromoquinazolin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonyl-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]piperidine-1-carboxylate;hydride;oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

dipotassium;6-bromo-2-iodoquinazoline;5-bromo-1-methylpyrazol-3-amine;tert-butyl 4-[[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-bromoquinazolin-2-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[(6-bromoquinazolin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonyl-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]piperidine-1-carboxylate;hydride;oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 3098.28 g/mol, XLogP of 19.47, 12 rotatable bonds, 4 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;6-bromo-2-iodoquinazoline;5-bromo-1-methylpyrazol-3-amine;tert-butyl 4-[[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-bromoquinazolin-2-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[(6-bromoquinazolin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonyl-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]piperidine-1-carboxylate;hydride;oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 158096564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).