4-[3-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]propyl]morpholine

C23H24FN5O — CID 25165280

IUPAC4-[3-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]propyl]morpholine
SMILESFc1ccc(-c2ncn(CCCN3CCOCC3)c2-c2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C23H24FN5O/c24-20-5-2-17(3-6-20)22-23(18-4-7-21-19(14-18)15-26-27-21)29(16-25-22)9-1-8-28-10-12-30-13-11-28/h2-7,14-16H,1,8-13H2,(H,26,27)
InChIKeyHLFSCVDUUVJVCD-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.95
Rot. Bonds6

About 4-[3-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]propyl]morpholine

4-[3-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]propyl]morpholine (PubChem CID 25165280) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is 4-[3-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]propyl]morpholine
PubChem CID25165280
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC Name4-[3-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]propyl]morpholine
SMILESFc1ccc(-c2ncn(CCCN3CCOCC3)c2-c2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C23H24FN5O/c24-20-5-2-17(3-6-20)22-23(18-4-7-21-19(14-18)15-26-27-21)29(16-25-22)9-1-8-28-10-12-30-13-11-28/h2-7,14-16H,1,8-13H2,(H,26,27)
InChIKeyHLFSCVDUUVJVCD-UHFFFAOYSA-N
XLogP3.95
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]propyl]morpholine?
The IUPAC name of 4-[3-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]propyl]morpholine (CID 25165280) is 4-[3-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]propyl]morpholine is Fc1ccc(-c2ncn(CCCN3CCOCC3)c2-c2ccc3[nH]ncc3c2)cc1.
What is the InChIKey of 4-[3-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]propyl]morpholine?
The InChIKey is HLFSCVDUUVJVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O/c24-20-5-2-17(3-6-20)22-23(18-4-7-21-19(14-18)15-26-27-21)29(16-25-22)9-1-8-28-10-12-30-13-11-28/h2-7,14-16H,1,8-13H2,(H,26,27).
What are the key properties of 4-[3-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]propyl]morpholine?
4-[3-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]propyl]morpholine has a molecular weight of 405.48 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]propyl]morpholine is sourced from PubChem (CID 25165280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).