[5-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]methanone

C23H21FN6O2 — CID 71566192

IUPAC[5-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]methanone
SMILESO=C(c1cc(F)ccc1-n1nccn1)N1CCOC[C@H]1Cc1cccc(-n2cccn2)c1
InChIInChI=1S/C23H21FN6O2/c24-18-5-6-22(30-26-8-9-27-30)21(15-18)23(31)28-11-12-32-16-20(28)14-17-3-1-4-19(13-17)29-10-2-7-25-29/h1-10,13,15,20H,11-12,14,16H2/t20-/m1/s1
InChIKeySYLDJPVOGVSYAI-HXUWFJFHSA-N
MW432.46 g/mol
LogP2.68
Rot. Bonds5

About [5-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]methanone

[5-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]methanone (PubChem CID 71566192) has the molecular formula C23H21FN6O2 and a molecular weight of 432.46 g/mol. Its IUPAC name is [5-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name[5-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]methanone
PubChem CID71566192
Molecular FormulaC23H21FN6O2
Molecular Weight432.46 g/mol
Exact Mass432.17
IUPAC Name[5-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]methanone
SMILESO=C(c1cc(F)ccc1-n1nccn1)N1CCOC[C@H]1Cc1cccc(-n2cccn2)c1
InChIInChI=1S/C23H21FN6O2/c24-18-5-6-22(30-26-8-9-27-30)21(15-18)23(31)28-11-12-32-16-20(28)14-17-3-1-4-19(13-17)29-10-2-7-25-29/h1-10,13,15,20H,11-12,14,16H2/t20-/m1/s1
InChIKeySYLDJPVOGVSYAI-HXUWFJFHSA-N
XLogP2.68
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Vornorexant
CID 137419776
Nivasorexant
CID 71566267
[4-methyl-2-(triazol-2-yl)phenyl]-[(3R,5R)-3-methyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71565800
[(2S)-2-[[4-(4-fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
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N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 57389637
N-ethyl-5-fluoro-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 57389884
[2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71524808
[4-methyl-2-(triazol-2-yl)phenyl]-[(2R,5R)-2-methyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71565520
[3-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71565663
[(3R)-3-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone
CID 71565666
[4-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[4-methyl-3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71565731
[4-methyl-2-(triazol-2-yl)phenyl]-[(3S,5R)-3-methyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]methanone?
The IUPAC name of [5-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]methanone (CID 71566192) is [5-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]methanone.
What is the SMILES notation for [5-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]methanone?
The canonical SMILES for [5-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]methanone is O=C(c1cc(F)ccc1-n1nccn1)N1CCOC[C@H]1Cc1cccc(-n2cccn2)c1.
What is the InChIKey of [5-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]methanone?
The InChIKey is SYLDJPVOGVSYAI-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H21FN6O2/c24-18-5-6-22(30-26-8-9-27-30)21(15-18)23(31)28-11-12-32-16-20(28)14-17-3-1-4-19(13-17)29-10-2-7-25-29/h1-10,13,15,20H,11-12,14,16H2/t20-/m1/s1.
What are the key properties of [5-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]methanone?
[5-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]methanone has a molecular weight of 432.46 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 71566192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).