4-[1-[6-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-4-yl]morpholine

C23H25FN6O — CID 155539692

IUPAC4-[1-[6-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-4-yl]morpholine
SMILESFc1cncc(-c2cc(N3CCC(N4CCOCC4)CC3)nc(-c3ccncc3)n2)c1
InChIInChI=1S/C23H25FN6O/c24-19-13-18(15-26-16-19)21-14-22(28-23(27-21)17-1-5-25-6-2-17)30-7-3-20(4-8-30)29-9-11-31-12-10-29/h1-2,5-6,13-16,20H,3-4,7-12H2
InChIKeyMRHLZBAOKWBHEA-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.04
Rot. Bonds4

About 4-[1-[6-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-4-yl]morpholine

4-[1-[6-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-4-yl]morpholine (PubChem CID 155539692) has the molecular formula C23H25FN6O and a molecular weight of 420.49 g/mol. Its IUPAC name is 4-[1-[6-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-[6-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-4-yl]morpholine
PubChem CID155539692
Molecular FormulaC23H25FN6O
Molecular Weight420.49 g/mol
Exact Mass420.21
IUPAC Name4-[1-[6-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-4-yl]morpholine
SMILESFc1cncc(-c2cc(N3CCC(N4CCOCC4)CC3)nc(-c3ccncc3)n2)c1
InChIInChI=1S/C23H25FN6O/c24-19-13-18(15-26-16-19)21-14-22(28-23(27-21)17-1-5-25-6-2-17)30-7-3-20(4-8-30)29-9-11-31-12-10-29/h1-2,5-6,13-16,20H,3-4,7-12H2
InChIKeyMRHLZBAOKWBHEA-UHFFFAOYSA-N
XLogP3.04
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[6-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-4-yl]morpholine?
The IUPAC name of 4-[1-[6-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-4-yl]morpholine (CID 155539692) is 4-[1-[6-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-[6-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-[6-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-4-yl]morpholine is Fc1cncc(-c2cc(N3CCC(N4CCOCC4)CC3)nc(-c3ccncc3)n2)c1.
What is the InChIKey of 4-[1-[6-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-4-yl]morpholine?
The InChIKey is MRHLZBAOKWBHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O/c24-19-13-18(15-26-16-19)21-14-22(28-23(27-21)17-1-5-25-6-2-17)30-7-3-20(4-8-30)29-9-11-31-12-10-29/h1-2,5-6,13-16,20H,3-4,7-12H2.
What are the key properties of 4-[1-[6-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-4-yl]morpholine?
4-[1-[6-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-4-yl]morpholine has a molecular weight of 420.49 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[6-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-4-yl]morpholine is sourced from PubChem (CID 155539692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).