7-bromo-2-[[(4-fluorophenyl)methylamino]methyl]imidazo[1,2-c]quinazolin-5-amine;7-(1-ethylpyrazol-4-yl)-2-[[(4-fluorophenyl)methylamino]methyl]imidazo[1,2-c]quinazolin-5-amine;1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C52H56BBrF2N14O2 — CID 158201495

About 7-bromo-2-[[(4-fluorophenyl)methylamino]methyl]imidazo[1,2-c]quinazolin-5-amine;7-(1-ethylpyrazol-4-yl)-2-[[(4-fluorophenyl)methylamino]methyl]imidazo[1,2-c]quinazolin-5-amine;1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

7-bromo-2-[[(4-fluorophenyl)methylamino]methyl]imidazo[1,2-c]quinazolin-5-amine;7-(1-ethylpyrazol-4-yl)-2-[[(4-fluorophenyl)methylamino]methyl]imidazo[1,2-c]quinazolin-5-amine;1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 158201495) has the molecular formula C52H56BBrF2N14O2 and a molecular weight of 1037.83 g/mol. Its IUPAC name is 7-bromo-2-[[(4-fluorophenyl)methylamino]methyl]imidazo[1,2-c]quinazolin-5-amine;7-(1-ethylpyrazol-4-yl)-2-[[(4-fluorophenyl)methylamino]methyl]imidazo[1,2-c]quinazolin-5-amine;1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

• Compound Name: 7-bromo-2-[[(4-fluorophenyl)methylamino]methyl]imidazo[1,2-c]quinazolin-5-amine;7-(1-ethylpyrazol-4-yl)-2-[[(4-fluorophenyl)methylamino]methyl]imidazo[1,2-c]quinazolin-5-amine;1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• PubChem CID: 158201495
• Molecular Formula: C52H56BBrF2N14O2
• Molecular Weight: 1037.83 g/mol
• Exact Mass: 1036.40
• IUPAC Name: 7-bromo-2-[[(4-fluorophenyl)methylamino]methyl]imidazo[1,2-c]quinazolin-5-amine;7-(1-ethylpyrazol-4-yl)-2-[[(4-fluorophenyl)methylamino]methyl]imidazo[1,2-c]quinazolin-5-amine;1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• SMILES: CCn1cc(-c2cccc3c2nc(N)n2cc(CNCc4ccc(F)cc4)nc32)cn1.CCn1cc(B2OC(C)(C)C(C)(C)O2)cn1.Nc1nc2c(Br)cccc2c2nc(CNCc3ccc(F)cc3)cn12
• InChI: InChI=1S/C23H22FN7.C18H15BrFN5.C11H19BN2O2/c1-2-30-13-16(11-27-30)19-4-3-5-20-21(19)29-23(25)31-14-18(28-22(20)31)12-26-10-15-6-8-17(24)9-7-15;19-15-3-1-2-14-16(15)24-18(21)25-10-13(23-17(14)25)9-22-8-11-4-6-12(20)7-5-11;1-6-14-8-9(7-13-14)12-15-10(2,3)11(4,5)16-12/h3-9,11,13-14,26H,2,10,12H2,1H3,(H2,25,29);1-7,10,22H,8-9H2,(H2,21,24);7-8H,6H2,1-5H3
• InChIKey: GAZLBYSHBXVNTM-UHFFFAOYSA-N
• XLogP: 8.64
• TPSA: 190.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1037.83
LogP ≤ 5	8.64
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[[(4-fluorophenyl)methylamino]methyl]imidazo[1,2-c]quinazolin-5-amine;7-(1-ethylpyrazol-4-yl)-2-[[(4-fluorophenyl)methylamino]methyl]imidazo[1,2-c]quinazolin-5-amine;1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The IUPAC name of 7-bromo-2-[[(4-fluorophenyl)methylamino]methyl]imidazo[1,2-c]quinazolin-5-amine;7-(1-ethylpyrazol-4-yl)-2-[[(4-fluorophenyl)methylamino]methyl]imidazo[1,2-c]quinazolin-5-amine;1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 158201495) is 7-bromo-2-[[(4-fluorophenyl)methylamino]methyl]imidazo[1,2-c]quinazolin-5-amine;7-(1-ethylpyrazol-4-yl)-2-[[(4-fluorophenyl)methylamino]methyl]imidazo[1,2-c]quinazolin-5-amine;1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

What is the SMILES notation for 7-bromo-2-[[(4-fluorophenyl)methylamino]methyl]imidazo[1,2-c]quinazolin-5-amine;7-(1-ethylpyrazol-4-yl)-2-[[(4-fluorophenyl)methylamino]methyl]imidazo[1,2-c]quinazolin-5-amine;1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The canonical SMILES for 7-bromo-2-[[(4-fluorophenyl)methylamino]methyl]imidazo[1,2-c]quinazolin-5-amine;7-(1-ethylpyrazol-4-yl)-2-[[(4-fluorophenyl)methylamino]methyl]imidazo[1,2-c]quinazolin-5-amine;1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is CCn1cc(-c2cccc3c2nc(N)n2cc(CNCc4ccc(F)cc4)nc32)cn1.CCn1cc(B2OC(C)(C)C(C)(C)O2)cn1.Nc1nc2c(Br)cccc2c2nc(CNCc3ccc(F)cc3)cn12.

What is the InChIKey of 7-bromo-2-[[(4-fluorophenyl)methylamino]methyl]imidazo[1,2-c]quinazolin-5-amine;7-(1-ethylpyrazol-4-yl)-2-[[(4-fluorophenyl)methylamino]methyl]imidazo[1,2-c]quinazolin-5-amine;1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The InChIKey is GAZLBYSHBXVNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7.C18H15BrFN5.C11H19BN2O2/c1-2-30-13-16(11-27-30)19-4-3-5-20-21(19)29-23(25)31-14-18(28-22(20)31)12-26-10-15-6-8-17(24)9-7-15;19-15-3-1-2-14-16(15)24-18(21)25-10-13(23-17(14)25)9-22-8-11-4-6-12(20)7-5-11;1-6-14-8-9(7-13-14)12-15-10(2,3)11(4,5)16-12/h3-9,11,13-14,26H,2,10,12H2,1H3,(H2,25,29);1-7,10,22H,8-9H2,(H2,21,24);7-8H,6H2,1-5H3.

What are the key properties of 7-bromo-2-[[(4-fluorophenyl)methylamino]methyl]imidazo[1,2-c]quinazolin-5-amine;7-(1-ethylpyrazol-4-yl)-2-[[(4-fluorophenyl)methylamino]methyl]imidazo[1,2-c]quinazolin-5-amine;1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

7-bromo-2-[[(4-fluorophenyl)methylamino]methyl]imidazo[1,2-c]quinazolin-5-amine;7-(1-ethylpyrazol-4-yl)-2-[[(4-fluorophenyl)methylamino]methyl]imidazo[1,2-c]quinazolin-5-amine;1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 1037.83 g/mol, XLogP of 8.64, 12 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-[[(4-fluorophenyl)methylamino]methyl]imidazo[1,2-c]quinazolin-5-amine;7-(1-ethylpyrazol-4-yl)-2-[[(4-fluorophenyl)methylamino]methyl]imidazo[1,2-c]quinazolin-5-amine;1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 158201495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).