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

C27H26F2N4O — CID 141095123

IUPAC4-[3-[4-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-pyridinyl]pyrazol-1-yl]propyl]morpholine
SMILESFc1ccc(-c2cc(-c3nn(CCCN4CCOCC4)cc3-c3ccc(F)cc3)ccn2)cc1
InChIInChI=1S/C27H26F2N4O/c28-23-6-2-20(3-7-23)25-19-33(13-1-12-32-14-16-34-17-15-32)31-27(25)22-10-11-30-26(18-22)21-4-8-24(29)9-5-21/h2-11,18-19H,1,12-17H2
InChIKeyGGAJFMZKPXOVBE-UHFFFAOYSA-N
MW460.53 g/mol
LogP5.28
Rot. Bonds7

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

4-[3-[4-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-pyridinyl]pyrazol-1-yl]propyl]morpholine (PubChem CID 141095123) has the molecular formula C27H26F2N4O and a molecular weight of 460.53 g/mol. Its IUPAC name is 4-[3-[4-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-pyridinyl]pyrazol-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-pyridinyl]pyrazol-1-yl]propyl]morpholine
PubChem CID141095123
Molecular FormulaC27H26F2N4O
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Name4-[3-[4-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-pyridinyl]pyrazol-1-yl]propyl]morpholine
SMILESFc1ccc(-c2cc(-c3nn(CCCN4CCOCC4)cc3-c3ccc(F)cc3)ccn2)cc1
InChIInChI=1S/C27H26F2N4O/c28-23-6-2-20(3-7-23)25-19-33(13-1-12-32-14-16-34-17-15-32)31-27(25)22-10-11-30-26(18-22)21-4-8-24(29)9-5-21/h2-11,18-19H,1,12-17H2
InChIKeyGGAJFMZKPXOVBE-UHFFFAOYSA-N
XLogP5.28
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.53
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-pyridinyl]pyrazol-1-yl]propyl]morpholine?
The IUPAC name of 4-[3-[4-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-pyridinyl]pyrazol-1-yl]propyl]morpholine (CID 141095123) is 4-[3-[4-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-pyridinyl]pyrazol-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-pyridinyl]pyrazol-1-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[4-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-pyridinyl]pyrazol-1-yl]propyl]morpholine is Fc1ccc(-c2cc(-c3nn(CCCN4CCOCC4)cc3-c3ccc(F)cc3)ccn2)cc1.
What is the InChIKey of 4-[3-[4-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-pyridinyl]pyrazol-1-yl]propyl]morpholine?
The InChIKey is GGAJFMZKPXOVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N4O/c28-23-6-2-20(3-7-23)25-19-33(13-1-12-32-14-16-34-17-15-32)31-27(25)22-10-11-30-26(18-22)21-4-8-24(29)9-5-21/h2-11,18-19H,1,12-17H2.
What are the key properties of 4-[3-[4-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-pyridinyl]pyrazol-1-yl]propyl]morpholine?
4-[3-[4-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-pyridinyl]pyrazol-1-yl]propyl]morpholine has a molecular weight of 460.53 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-pyridinyl]pyrazol-1-yl]propyl]morpholine is sourced from PubChem (CID 141095123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).