N-[(4-bromophenyl)methyl]-1-[2-[4-[4-[[2-cyclohexyloxy-6-cyclopropyl-4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-7-(5-methyl-1H-indazol-4-yl)quinazolin-8-yl]oxymethyl]-2-(methylamino)phenyl]-3-formylpyrazol-1-yl]-3-methylbutanoyl]pyrrolidine-2-carboxamide;methanol

C60H70BrN11O6 — CID 176976513

About N-[(4-bromophenyl)methyl]-1-[2-[4-[4-[[2-cyclohexyloxy-6-cyclopropyl-4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-7-(5-methyl-1H-indazol-4-yl)quinazolin-8-yl]oxymethyl]-2-(methylamino)phenyl]-3-formylpyrazol-1-yl]-3-methylbutanoyl]pyrrolidine-2-carboxamide;methanol

N-[(4-bromophenyl)methyl]-1-[2-[4-[4-[[2-cyclohexyloxy-6-cyclopropyl-4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-7-(5-methyl-1H-indazol-4-yl)quinazolin-8-yl]oxymethyl]-2-(methylamino)phenyl]-3-formylpyrazol-1-yl]-3-methylbutanoyl]pyrrolidine-2-carboxamide;methanol (PubChem CID 176976513) has the molecular formula C60H70BrN11O6 and a molecular weight of 1121.19 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1-[2-[4-[4-[[2-cyclohexyloxy-6-cyclopropyl-4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-7-(5-methyl-1H-indazol-4-yl)quinazolin-8-yl]oxymethyl]-2-(methylamino)phenyl]-3-formylpyrazol-1-yl]-3-methylbutanoyl]pyrrolidine-2-carboxamide;methanol.

Molecular Properties

• Compound Name: N-[(4-bromophenyl)methyl]-1-[2-[4-[4-[[2-cyclohexyloxy-6-cyclopropyl-4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-7-(5-methyl-1H-indazol-4-yl)quinazolin-8-yl]oxymethyl]-2-(methylamino)phenyl]-3-formylpyrazol-1-yl]-3-methylbutanoyl]pyrrolidine-2-carboxamide;methanol
• PubChem CID: 176976513
• Molecular Formula: C60H70BrN11O6
• Molecular Weight: 1121.19 g/mol
• Exact Mass: 1119.47
• IUPAC Name: N-[(4-bromophenyl)methyl]-1-[2-[4-[4-[[2-cyclohexyloxy-6-cyclopropyl-4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-7-(5-methyl-1H-indazol-4-yl)quinazolin-8-yl]oxymethyl]-2-(methylamino)phenyl]-3-formylpyrazol-1-yl]-3-methylbutanoyl]pyrrolidine-2-carboxamide;methanol
• SMILES: CNc1cc(COc2c(-c3c(C)ccc4[nH]ncc34)c(C3CC3)cc3c(N4CC5CC4CN5)nc(OC4CCCCC4)nc23)ccc1-c1cn(C(C(=O)N2CCCC2C(=O)NCc2ccc(Br)cc2)C(C)C)nc1C=O.CO
• InChI: InChI=1S/C59H66BrN11O5.CH4O/c1-33(2)54(58(74)69-22-8-11-50(69)57(73)63-26-35-13-18-38(60)19-14-35)71-30-46(49(31-72)68-71)42-20-15-36(23-48(42)61-4)32-75-55-52(51-34(3)12-21-47-45(51)28-64-67-47)43(37-16-17-37)25-44-53(55)65-59(76-41-9-6-5-7-10-41)66-56(44)70-29-39-24-40(70)27-62-39;1-2/h12-15,18-21,23,25,28,30-31,33,37,39-41,50,54,61-62H,5-11,16-17,22,24,26-27,29,32H2,1-4H3,(H,63,73)(H,64,67);2H,1H3
• InChIKey: QZGLUEILQQMZIO-UHFFFAOYSA-N
• XLogP: 9.79
• TPSA: 204.75 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 17
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1121.19
LogP ≤ 5	9.79
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1-[2-[4-[4-[[2-cyclohexyloxy-6-cyclopropyl-4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-7-(5-methyl-1H-indazol-4-yl)quinazolin-8-yl]oxymethyl]-2-(methylamino)phenyl]-3-formylpyrazol-1-yl]-3-methylbutanoyl]pyrrolidine-2-carboxamide;methanol?

The IUPAC name of N-[(4-bromophenyl)methyl]-1-[2-[4-[4-[[2-cyclohexyloxy-6-cyclopropyl-4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-7-(5-methyl-1H-indazol-4-yl)quinazolin-8-yl]oxymethyl]-2-(methylamino)phenyl]-3-formylpyrazol-1-yl]-3-methylbutanoyl]pyrrolidine-2-carboxamide;methanol (CID 176976513) is N-[(4-bromophenyl)methyl]-1-[2-[4-[4-[[2-cyclohexyloxy-6-cyclopropyl-4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-7-(5-methyl-1H-indazol-4-yl)quinazolin-8-yl]oxymethyl]-2-(methylamino)phenyl]-3-formylpyrazol-1-yl]-3-methylbutanoyl]pyrrolidine-2-carboxamide;methanol.

What is the SMILES notation for N-[(4-bromophenyl)methyl]-1-[2-[4-[4-[[2-cyclohexyloxy-6-cyclopropyl-4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-7-(5-methyl-1H-indazol-4-yl)quinazolin-8-yl]oxymethyl]-2-(methylamino)phenyl]-3-formylpyrazol-1-yl]-3-methylbutanoyl]pyrrolidine-2-carboxamide;methanol?

The canonical SMILES for N-[(4-bromophenyl)methyl]-1-[2-[4-[4-[[2-cyclohexyloxy-6-cyclopropyl-4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-7-(5-methyl-1H-indazol-4-yl)quinazolin-8-yl]oxymethyl]-2-(methylamino)phenyl]-3-formylpyrazol-1-yl]-3-methylbutanoyl]pyrrolidine-2-carboxamide;methanol is CNc1cc(COc2c(-c3c(C)ccc4[nH]ncc34)c(C3CC3)cc3c(N4CC5CC4CN5)nc(OC4CCCCC4)nc23)ccc1-c1cn(C(C(=O)N2CCCC2C(=O)NCc2ccc(Br)cc2)C(C)C)nc1C=O.CO.

What is the InChIKey of N-[(4-bromophenyl)methyl]-1-[2-[4-[4-[[2-cyclohexyloxy-6-cyclopropyl-4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-7-(5-methyl-1H-indazol-4-yl)quinazolin-8-yl]oxymethyl]-2-(methylamino)phenyl]-3-formylpyrazol-1-yl]-3-methylbutanoyl]pyrrolidine-2-carboxamide;methanol?

The InChIKey is QZGLUEILQQMZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H66BrN11O5.CH4O/c1-33(2)54(58(74)69-22-8-11-50(69)57(73)63-26-35-13-18-38(60)19-14-35)71-30-46(49(31-72)68-71)42-20-15-36(23-48(42)61-4)32-75-55-52(51-34(3)12-21-47-45(51)28-64-67-47)43(37-16-17-37)25-44-53(55)65-59(76-41-9-6-5-7-10-41)66-56(44)70-29-39-24-40(70)27-62-39;1-2/h12-15,18-21,23,25,28,30-31,33,37,39-41,50,54,61-62H,5-11,16-17,22,24,26-27,29,32H2,1-4H3,(H,63,73)(H,64,67);2H,1H3.

What are the key properties of N-[(4-bromophenyl)methyl]-1-[2-[4-[4-[[2-cyclohexyloxy-6-cyclopropyl-4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-7-(5-methyl-1H-indazol-4-yl)quinazolin-8-yl]oxymethyl]-2-(methylamino)phenyl]-3-formylpyrazol-1-yl]-3-methylbutanoyl]pyrrolidine-2-carboxamide;methanol?

N-[(4-bromophenyl)methyl]-1-[2-[4-[4-[[2-cyclohexyloxy-6-cyclopropyl-4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-7-(5-methyl-1H-indazol-4-yl)quinazolin-8-yl]oxymethyl]-2-(methylamino)phenyl]-3-formylpyrazol-1-yl]-3-methylbutanoyl]pyrrolidine-2-carboxamide;methanol has a molecular weight of 1121.19 g/mol, XLogP of 9.79, 17 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-bromophenyl)methyl]-1-[2-[4-[4-[[2-cyclohexyloxy-6-cyclopropyl-4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-7-(5-methyl-1H-indazol-4-yl)quinazolin-8-yl]oxymethyl]-2-(methylamino)phenyl]-3-formylpyrazol-1-yl]-3-methylbutanoyl]pyrrolidine-2-carboxamide;methanol is sourced from PubChem (CID 176976513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).