4-[3-fluoro-4-[4-[3-(piperidin-4-ylmethoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]morpholine

C24H28FN5O2 — CID 127052233

IUPAC4-[3-fluoro-4-[4-[3-(piperidin-4-ylmethoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]morpholine
SMILESFc1cc(N2CCOCC2)ccc1-n1cc(-c2ccncc2OCC2CCNCC2)cn1
InChIInChI=1S/C24H28FN5O2/c25-22-13-20(29-9-11-31-12-10-29)1-2-23(22)30-16-19(14-28-30)21-5-8-27-15-24(21)32-17-18-3-6-26-7-4-18/h1-2,5,8,13-16,18,26H,3-4,6-7,9-12,17H2
InChIKeyKAPLRSAIGLOIBX-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.29
Rot. Bonds6

About 4-[3-fluoro-4-[4-[3-(piperidin-4-ylmethoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]morpholine

4-[3-fluoro-4-[4-[3-(piperidin-4-ylmethoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]morpholine (PubChem CID 127052233) has the molecular formula C24H28FN5O2 and a molecular weight of 437.52 g/mol. Its IUPAC name is 4-[3-fluoro-4-[4-[3-(piperidin-4-ylmethoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[3-fluoro-4-[4-[3-(piperidin-4-ylmethoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]morpholine
PubChem CID127052233
Molecular FormulaC24H28FN5O2
Molecular Weight437.52 g/mol
Exact Mass437.22
IUPAC Name4-[3-fluoro-4-[4-[3-(piperidin-4-ylmethoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]morpholine
SMILESFc1cc(N2CCOCC2)ccc1-n1cc(-c2ccncc2OCC2CCNCC2)cn1
InChIInChI=1S/C24H28FN5O2/c25-22-13-20(29-9-11-31-12-10-29)1-2-23(22)30-16-19(14-28-30)21-5-8-27-15-24(21)32-17-18-3-6-26-7-4-18/h1-2,5,8,13-16,18,26H,3-4,6-7,9-12,17H2
InChIKeyKAPLRSAIGLOIBX-UHFFFAOYSA-N
XLogP3.29
TPSA64.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-[4-[3-(piperidin-4-ylmethoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]morpholine?
The IUPAC name of 4-[3-fluoro-4-[4-[3-(piperidin-4-ylmethoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]morpholine (CID 127052233) is 4-[3-fluoro-4-[4-[3-(piperidin-4-ylmethoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]morpholine.
What is the SMILES notation for 4-[3-fluoro-4-[4-[3-(piperidin-4-ylmethoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]morpholine?
The canonical SMILES for 4-[3-fluoro-4-[4-[3-(piperidin-4-ylmethoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]morpholine is Fc1cc(N2CCOCC2)ccc1-n1cc(-c2ccncc2OCC2CCNCC2)cn1.
What is the InChIKey of 4-[3-fluoro-4-[4-[3-(piperidin-4-ylmethoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]morpholine?
The InChIKey is KAPLRSAIGLOIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O2/c25-22-13-20(29-9-11-31-12-10-29)1-2-23(22)30-16-19(14-28-30)21-5-8-27-15-24(21)32-17-18-3-6-26-7-4-18/h1-2,5,8,13-16,18,26H,3-4,6-7,9-12,17H2.
What are the key properties of 4-[3-fluoro-4-[4-[3-(piperidin-4-ylmethoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]morpholine?
4-[3-fluoro-4-[4-[3-(piperidin-4-ylmethoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]morpholine has a molecular weight of 437.52 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-[4-[3-(piperidin-4-ylmethoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]morpholine is sourced from PubChem (CID 127052233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).