4-[5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]-3-pyridinyl]morpholine

C18H16F3N5O — CID 129315426

IUPAC4-[5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]-3-pyridinyl]morpholine
SMILESFC(F)(F)c1cnc(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)[nH]1
InChIInChI=1S/C18H16F3N5O/c19-18(20,21)16-11-24-17(25-16)15-8-12(1-2-23-15)13-7-14(10-22-9-13)26-3-5-27-6-4-26/h1-2,7-11H,3-6H2,(H,24,25)
InChIKeyBAUUTOACXPYPHP-UHFFFAOYSA-N
MW375.35 g/mol
LogP3.39
Rot. Bonds3

About 4-[5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]-3-pyridinyl]morpholine

4-[5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]-3-pyridinyl]morpholine (PubChem CID 129315426) has the molecular formula C18H16F3N5O and a molecular weight of 375.35 g/mol. Its IUPAC name is 4-[5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]-3-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]-3-pyridinyl]morpholine
PubChem CID129315426
Molecular FormulaC18H16F3N5O
Molecular Weight375.35 g/mol
Exact Mass375.13
IUPAC Name4-[5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]-3-pyridinyl]morpholine
SMILESFC(F)(F)c1cnc(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)[nH]1
InChIInChI=1S/C18H16F3N5O/c19-18(20,21)16-11-24-17(25-16)15-8-12(1-2-23-15)13-7-14(10-22-9-13)26-3-5-27-6-4-26/h1-2,7-11H,3-6H2,(H,24,25)
InChIKeyBAUUTOACXPYPHP-UHFFFAOYSA-N
XLogP3.39
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]-3-pyridinyl]morpholine?
The IUPAC name of 4-[5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]-3-pyridinyl]morpholine (CID 129315426) is 4-[5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]-3-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]-3-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]-3-pyridinyl]morpholine is FC(F)(F)c1cnc(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)[nH]1.
What is the InChIKey of 4-[5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]-3-pyridinyl]morpholine?
The InChIKey is BAUUTOACXPYPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O/c19-18(20,21)16-11-24-17(25-16)15-8-12(1-2-23-15)13-7-14(10-22-9-13)26-3-5-27-6-4-26/h1-2,7-11H,3-6H2,(H,24,25).
What are the key properties of 4-[5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]-3-pyridinyl]morpholine?
4-[5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]-3-pyridinyl]morpholine has a molecular weight of 375.35 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]-3-pyridinyl]morpholine is sourced from PubChem (CID 129315426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).