1-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)piperidin-4-ol

C23H21N3O2 — CID 46854894

IUPAC1-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)piperidin-4-ol
SMILESOC1CCN(c2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)CC1
InChIInChI=1S/C23H21N3O2/c27-18-11-13-26(14-12-18)22-20-19(16-7-3-1-4-8-16)21(17-9-5-2-6-10-17)28-23(20)25-15-24-22/h1-10,15,18,27H,11-14H2
InChIKeyNHIUBUZKCQZTGK-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.52
Rot. Bonds3

About 1-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)piperidin-4-ol

1-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)piperidin-4-ol (PubChem CID 46854894) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)piperidin-4-ol
PubChem CID46854894
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name1-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)piperidin-4-ol
SMILESOC1CCN(c2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)CC1
InChIInChI=1S/C23H21N3O2/c27-18-11-13-26(14-12-18)22-20-19(16-7-3-1-4-8-16)21(17-9-5-2-6-10-17)28-23(20)25-15-24-22/h1-10,15,18,27H,11-14H2
InChIKeyNHIUBUZKCQZTGK-UHFFFAOYSA-N
XLogP4.52
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)piperidin-4-ol?
The IUPAC name of 1-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)piperidin-4-ol (CID 46854894) is 1-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)piperidin-4-ol.
What is the SMILES notation for 1-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)piperidin-4-ol?
The canonical SMILES for 1-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)piperidin-4-ol is OC1CCN(c2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)CC1.
What is the InChIKey of 1-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)piperidin-4-ol?
The InChIKey is NHIUBUZKCQZTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c27-18-11-13-26(14-12-18)22-20-19(16-7-3-1-4-8-16)21(17-9-5-2-6-10-17)28-23(20)25-15-24-22/h1-10,15,18,27H,11-14H2.
What are the key properties of 1-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)piperidin-4-ol?
1-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)piperidin-4-ol has a molecular weight of 371.44 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)piperidin-4-ol is sourced from PubChem (CID 46854894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).