4-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine

C26H26FN5O — CID 54768045

IUPAC4-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine
SMILESFc1ccccc1-c1cc(-c2cncc(-c3cnn(CCCN4CCOCC4)c3)c2)ccn1
InChIInChI=1S/C26H26FN5O/c27-25-5-2-1-4-24(25)26-15-20(6-7-29-26)21-14-22(17-28-16-21)23-18-30-32(19-23)9-3-8-31-10-12-33-13-11-31/h1-2,4-7,14-19H,3,8-13H2
InChIKeyAHSXBMRAXOATHY-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.54
Rot. Bonds7

About 4-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine

4-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine (PubChem CID 54768045) has the molecular formula C26H26FN5O and a molecular weight of 443.53 g/mol. Its IUPAC name is 4-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine
PubChem CID54768045
Molecular FormulaC26H26FN5O
Molecular Weight443.53 g/mol
Exact Mass443.21
IUPAC Name4-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine
SMILESFc1ccccc1-c1cc(-c2cncc(-c3cnn(CCCN4CCOCC4)c3)c2)ccn1
InChIInChI=1S/C26H26FN5O/c27-25-5-2-1-4-24(25)26-15-20(6-7-29-26)21-14-22(17-28-16-21)23-18-30-32(19-23)9-3-8-31-10-12-33-13-11-31/h1-2,4-7,14-19H,3,8-13H2
InChIKeyAHSXBMRAXOATHY-UHFFFAOYSA-N
XLogP4.54
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine?
The IUPAC name of 4-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine (CID 54768045) is 4-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine is Fc1ccccc1-c1cc(-c2cncc(-c3cnn(CCCN4CCOCC4)c3)c2)ccn1.
What is the InChIKey of 4-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine?
The InChIKey is AHSXBMRAXOATHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O/c27-25-5-2-1-4-24(25)26-15-20(6-7-29-26)21-14-22(17-28-16-21)23-18-30-32(19-23)9-3-8-31-10-12-33-13-11-31/h1-2,4-7,14-19H,3,8-13H2.
What are the key properties of 4-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine?
4-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine has a molecular weight of 443.53 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine is sourced from PubChem (CID 54768045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).