[4-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone

C22H20FN7O2 — CID 71565952

IUPAC[4-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1-n1nccn1)N1CCOC[C@H]1Cc1cccc(-n2nccn2)c1
InChIInChI=1S/C22H20FN7O2/c23-17-4-5-20(21(14-17)30-26-8-9-27-30)22(31)28-10-11-32-15-19(28)13-16-2-1-3-18(12-16)29-24-6-7-25-29/h1-9,12,14,19H,10-11,13,15H2/t19-/m1/s1
InChIKeyQCNZPQHXWUCBEP-LJQANCHMSA-N
MW433.45 g/mol
LogP2.07
Rot. Bonds5

About [4-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone

[4-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone (PubChem CID 71565952) has the molecular formula C22H20FN7O2 and a molecular weight of 433.45 g/mol. Its IUPAC name is [4-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name[4-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
PubChem CID71565952
Molecular FormulaC22H20FN7O2
Molecular Weight433.45 g/mol
Exact Mass433.17
IUPAC Name[4-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1-n1nccn1)N1CCOC[C@H]1Cc1cccc(-n2nccn2)c1
InChIInChI=1S/C22H20FN7O2/c23-17-4-5-20(21(14-17)30-26-8-9-27-30)22(31)28-10-11-32-15-19(28)13-16-2-1-3-18(12-16)29-24-6-7-25-29/h1-9,12,14,19H,10-11,13,15H2/t19-/m1/s1
InChIKeyQCNZPQHXWUCBEP-LJQANCHMSA-N
XLogP2.07
TPSA90.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.45
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone?
The IUPAC name of [4-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone (CID 71565952) is [4-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone.
What is the SMILES notation for [4-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone?
The canonical SMILES for [4-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone is O=C(c1ccc(F)cc1-n1nccn1)N1CCOC[C@H]1Cc1cccc(-n2nccn2)c1.
What is the InChIKey of [4-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone?
The InChIKey is QCNZPQHXWUCBEP-LJQANCHMSA-N. The full InChI is InChI=1S/C22H20FN7O2/c23-17-4-5-20(21(14-17)30-26-8-9-27-30)22(31)28-10-11-32-15-19(28)13-16-2-1-3-18(12-16)29-24-6-7-25-29/h1-9,12,14,19H,10-11,13,15H2/t19-/m1/s1.
What are the key properties of [4-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone?
[4-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone has a molecular weight of 433.45 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 71565952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).