1-[2-phenyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-yl]piperidin-4-ol

C24H22N4OS — CID 4077644

IUPAC1-[2-phenyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-yl]piperidin-4-ol
SMILESOC1CCN(c2cc(-c3cncc(-c4cccs4)c3)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C24H22N4OS/c29-20-8-10-28(11-9-20)23-14-21(26-24(27-23)17-5-2-1-3-6-17)18-13-19(16-25-15-18)22-7-4-12-30-22/h1-7,12-16,20,29H,8-11H2
InChIKeyMMKOEHOIFOBVGN-UHFFFAOYSA-N
MW414.53 g/mol
LogP4.90
Rot. Bonds4

About 1-[2-phenyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-yl]piperidin-4-ol

1-[2-phenyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-yl]piperidin-4-ol (PubChem CID 4077644) has the molecular formula C24H22N4OS and a molecular weight of 414.53 g/mol. Its IUPAC name is 1-[2-phenyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-phenyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-yl]piperidin-4-ol
PubChem CID4077644
Molecular FormulaC24H22N4OS
Molecular Weight414.53 g/mol
Exact Mass414.15
IUPAC Name1-[2-phenyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-yl]piperidin-4-ol
SMILESOC1CCN(c2cc(-c3cncc(-c4cccs4)c3)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C24H22N4OS/c29-20-8-10-28(11-9-20)23-14-21(26-24(27-23)17-5-2-1-3-6-17)18-13-19(16-25-15-18)22-7-4-12-30-22/h1-7,12-16,20,29H,8-11H2
InChIKeyMMKOEHOIFOBVGN-UHFFFAOYSA-N
XLogP4.90
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-phenyl-6-(5-thiophen-2-yl-3-pyridinyl)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-[2-phenyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[2-phenyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-yl]piperidin-4-ol (CID 4077644) is 1-[2-phenyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[2-phenyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[2-phenyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-yl]piperidin-4-ol is OC1CCN(c2cc(-c3cncc(-c4cccs4)c3)nc(-c3ccccc3)n2)CC1.
What is the InChIKey of 1-[2-phenyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is MMKOEHOIFOBVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4OS/c29-20-8-10-28(11-9-20)23-14-21(26-24(27-23)17-5-2-1-3-6-17)18-13-19(16-25-15-18)22-7-4-12-30-22/h1-7,12-16,20,29H,8-11H2.
What are the key properties of 1-[2-phenyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-yl]piperidin-4-ol?
1-[2-phenyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 414.53 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-phenyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 4077644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).