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

C25H24N6O2 — CID 71566037

IUPAC[5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2CCOC[C@H]2Cc2cccc(-c3ncccn3)c2)c1
InChIInChI=1S/C25H24N6O2/c1-18-6-7-23(31-28-10-11-29-31)22(14-18)25(32)30-12-13-33-17-21(30)16-19-4-2-5-20(15-19)24-26-8-3-9-27-24/h2-11,14-15,21H,12-13,16-17H2,1H3/t21-/m1/s1
InChIKeyJHOLYWCJSQKKLV-OAQYLSRUSA-N
MW440.51 g/mol
LogP3.12
Rot. Bonds5

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

[5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]methanone (PubChem CID 71566037) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name[5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]methanone
PubChem CID71566037
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC Name[5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2CCOC[C@H]2Cc2cccc(-c3ncccn3)c2)c1
InChIInChI=1S/C25H24N6O2/c1-18-6-7-23(31-28-10-11-29-31)22(14-18)25(32)30-12-13-33-17-21(30)16-19-4-2-5-20(15-19)24-26-8-3-9-27-24/h2-11,14-15,21H,12-13,16-17H2,1H3/t21-/m1/s1
InChIKeyJHOLYWCJSQKKLV-OAQYLSRUSA-N
XLogP3.12
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quinazolin-2-yl)-1,4-diazepan-1-yl)methanone
CID 24882716
[(7R)-7-methyl-4-[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 24965286
(5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(6-(quinazolin-2-yl)-3,6-diazabicyclo[3.2.1]octan-3-yl)methanone
CID 24968277
2-{(5R)-5-Methyl-4-[5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoyl]-1,4-diazepan-1-yl}quinazoline
CID 46868664
[(7R)-4-(4-chloro-5-methylpyrimidin-2-yl)-7-methyl-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 122191742
(4,4-Difluoro-3-quinazolin-2-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
CID 90298385
[5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrrol-1-ylphenyl)methyl]morpholin-4-yl]methanone
CID 71565875
[4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[4-methyl-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71566431
[4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71566516
[4-chloro-2-(triazol-2-yl)phenyl]-[(2R,5R)-2-methyl-5-[(3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]methanone
CID 89560239
(-)-[2-{[3-(4-Fluorophenyl)-1H-pyrazol-1-yl]methyl}-1,3-oxazinan-3-yl][5-methyl-2-(pyrimidin-2-yl)phenyl]methanone
CID 118020586
[(2R,5R)-2-methyl-5-[(3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118117572

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]methanone?
The IUPAC name of [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]methanone (CID 71566037) is [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]methanone.
What is the SMILES notation for [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]methanone?
The canonical SMILES for [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]methanone is Cc1ccc(-n2nccn2)c(C(=O)N2CCOC[C@H]2Cc2cccc(-c3ncccn3)c2)c1.
What is the InChIKey of [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]methanone?
The InChIKey is JHOLYWCJSQKKLV-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-18-6-7-23(31-28-10-11-29-31)22(14-18)25(32)30-12-13-33-17-21(30)16-19-4-2-5-20(15-19)24-26-8-3-9-27-24/h2-11,14-15,21H,12-13,16-17H2,1H3/t21-/m1/s1.
What are the key properties of [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]methanone?
[5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]methanone has a molecular weight of 440.51 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 71566037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).