tert-butyl N-[[4-[[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]carbamoyl]phenyl]methyl]-N-[2-(oxan-2-yloxy)ethyl]carbamate

C44H44N6O6 — CID 67319237

About tert-butyl N-[[4-[[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]carbamoyl]phenyl]methyl]-N-[2-(oxan-2-yloxy)ethyl]carbamate

tert-butyl N-[[4-[[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]carbamoyl]phenyl]methyl]-N-[2-(oxan-2-yloxy)ethyl]carbamate (PubChem CID 67319237) has the molecular formula C44H44N6O6 and a molecular weight of 752.87 g/mol. Its IUPAC name is tert-butyl N-[[4-[[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]carbamoyl]phenyl]methyl]-N-[2-(oxan-2-yloxy)ethyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[[4-[[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]carbamoyl]phenyl]methyl]-N-[2-(oxan-2-yloxy)ethyl]carbamate
• PubChem CID: 67319237
• Molecular Formula: C44H44N6O6
• Molecular Weight: 752.87 g/mol
• Exact Mass: 752.33
• IUPAC Name: tert-butyl N-[[4-[[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]carbamoyl]phenyl]methyl]-N-[2-(oxan-2-yloxy)ethyl]carbamate
• SMILES: CC(C)(C)OC(=O)N(CCOC1CCCCO1)Cc1ccc(C(=O)Nc2ccc(Nc3nc(-c4cccc5c4oc4ccccc45)cc4ccnn34)cc2)cc1
• InChI: InChI=1S/C44H44N6O6/c1-44(2,3)56-43(52)49(24-26-54-39-13-6-7-25-53-39)28-29-14-16-30(17-15-29)41(51)46-31-18-20-32(21-19-31)47-42-48-37(27-33-22-23-45-50(33)42)36-11-8-10-35-34-9-4-5-12-38(34)55-40(35)36/h4-5,8-12,14-23,27,39H,6-7,13,24-26,28H2,1-3H3,(H,46,51)(H,47,48)
• InChIKey: BCZVMFWYZDWOKF-UHFFFAOYSA-N
• XLogP: 9.57
• TPSA: 132.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	752.87
LogP ≤ 5	9.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]carbamoyl]phenyl]methyl]-N-[2-(oxan-2-yloxy)ethyl]carbamate?

The IUPAC name of tert-butyl N-[[4-[[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]carbamoyl]phenyl]methyl]-N-[2-(oxan-2-yloxy)ethyl]carbamate (CID 67319237) is tert-butyl N-[[4-[[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]carbamoyl]phenyl]methyl]-N-[2-(oxan-2-yloxy)ethyl]carbamate.

What is the SMILES notation for tert-butyl N-[[4-[[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]carbamoyl]phenyl]methyl]-N-[2-(oxan-2-yloxy)ethyl]carbamate?

The canonical SMILES for tert-butyl N-[[4-[[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]carbamoyl]phenyl]methyl]-N-[2-(oxan-2-yloxy)ethyl]carbamate is CC(C)(C)OC(=O)N(CCOC1CCCCO1)Cc1ccc(C(=O)Nc2ccc(Nc3nc(-c4cccc5c4oc4ccccc45)cc4ccnn34)cc2)cc1.

What is the InChIKey of tert-butyl N-[[4-[[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]carbamoyl]phenyl]methyl]-N-[2-(oxan-2-yloxy)ethyl]carbamate?

The InChIKey is BCZVMFWYZDWOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H44N6O6/c1-44(2,3)56-43(52)49(24-26-54-39-13-6-7-25-53-39)28-29-14-16-30(17-15-29)41(51)46-31-18-20-32(21-19-31)47-42-48-37(27-33-22-23-45-50(33)42)36-11-8-10-35-34-9-4-5-12-38(34)55-40(35)36/h4-5,8-12,14-23,27,39H,6-7,13,24-26,28H2,1-3H3,(H,46,51)(H,47,48).

What are the key properties of tert-butyl N-[[4-[[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]carbamoyl]phenyl]methyl]-N-[2-(oxan-2-yloxy)ethyl]carbamate?

tert-butyl N-[[4-[[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]carbamoyl]phenyl]methyl]-N-[2-(oxan-2-yloxy)ethyl]carbamate has a molecular weight of 752.87 g/mol, XLogP of 9.57, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[4-[[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]carbamoyl]phenyl]methyl]-N-[2-(oxan-2-yloxy)ethyl]carbamate is sourced from PubChem (CID 67319237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).