7-benzyl-4-(1-benzylpiperidin-4-yl)oxypyrrolo[2,3-d]pyrimidine

C25H26N4O — CID 70689473

IUPAC7-benzyl-4-(1-benzylpiperidin-4-yl)oxypyrrolo[2,3-d]pyrimidine
SMILESc1ccc(CN2CCC(Oc3ncnc4c3ccn4Cc3ccccc3)CC2)cc1
InChIInChI=1S/C25H26N4O/c1-3-7-20(8-4-1)17-28-14-11-22(12-15-28)30-25-23-13-16-29(24(23)26-19-27-25)18-21-9-5-2-6-10-21/h1-10,13,16,19,22H,11-12,14-15,17-18H2
InChIKeyBAOSULLFFBZYSX-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.52
Rot. Bonds6

About 7-benzyl-4-(1-benzylpiperidin-4-yl)oxypyrrolo[2,3-d]pyrimidine

7-benzyl-4-(1-benzylpiperidin-4-yl)oxypyrrolo[2,3-d]pyrimidine (PubChem CID 70689473) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 7-benzyl-4-(1-benzylpiperidin-4-yl)oxypyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-benzyl-4-(1-benzylpiperidin-4-yl)oxypyrrolo[2,3-d]pyrimidine
PubChem CID70689473
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name7-benzyl-4-(1-benzylpiperidin-4-yl)oxypyrrolo[2,3-d]pyrimidine
SMILESc1ccc(CN2CCC(Oc3ncnc4c3ccn4Cc3ccccc3)CC2)cc1
InChIInChI=1S/C25H26N4O/c1-3-7-20(8-4-1)17-28-14-11-22(12-15-28)30-25-23-13-16-29(24(23)26-19-27-25)18-21-9-5-2-6-10-21/h1-10,13,16,19,22H,11-12,14-15,17-18H2
InChIKeyBAOSULLFFBZYSX-UHFFFAOYSA-N
XLogP4.52
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-4-(1-benzylpiperidin-4-yl)oxypyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-benzyl-4-(1-benzylpiperidin-4-yl)oxypyrrolo[2,3-d]pyrimidine (CID 70689473) is 7-benzyl-4-(1-benzylpiperidin-4-yl)oxypyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-benzyl-4-(1-benzylpiperidin-4-yl)oxypyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-benzyl-4-(1-benzylpiperidin-4-yl)oxypyrrolo[2,3-d]pyrimidine is c1ccc(CN2CCC(Oc3ncnc4c3ccn4Cc3ccccc3)CC2)cc1.
What is the InChIKey of 7-benzyl-4-(1-benzylpiperidin-4-yl)oxypyrrolo[2,3-d]pyrimidine?
The InChIKey is BAOSULLFFBZYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-3-7-20(8-4-1)17-28-14-11-22(12-15-28)30-25-23-13-16-29(24(23)26-19-27-25)18-21-9-5-2-6-10-21/h1-10,13,16,19,22H,11-12,14-15,17-18H2.
What are the key properties of 7-benzyl-4-(1-benzylpiperidin-4-yl)oxypyrrolo[2,3-d]pyrimidine?
7-benzyl-4-(1-benzylpiperidin-4-yl)oxypyrrolo[2,3-d]pyrimidine has a molecular weight of 398.51 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-4-(1-benzylpiperidin-4-yl)oxypyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 70689473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).