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

C24H24N6O2 — CID 71566120

IUPAC[5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2CCOC[C@H]2Cc2cccc(-n3cccn3)c2)c1
InChIInChI=1S/C24H24N6O2/c1-18-6-7-23(30-26-9-10-27-30)22(14-18)24(31)28-12-13-32-17-21(28)16-19-4-2-5-20(15-19)29-11-3-8-25-29/h2-11,14-15,21H,12-13,16-17H2,1H3/t21-/m1/s1
InChIKeyGSBLIJRKLPIUPS-OAQYLSRUSA-N
MW428.50 g/mol
LogP2.85
Rot. Bonds5

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

[5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]methanone (PubChem CID 71566120) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name[5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]methanone
PubChem CID71566120
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name[5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2CCOC[C@H]2Cc2cccc(-n3cccn3)c2)c1
InChIInChI=1S/C24H24N6O2/c1-18-6-7-23(30-26-9-10-27-30)22(14-18)24(31)28-12-13-32-17-21(28)16-19-4-2-5-20(15-19)29-11-3-8-25-29/h2-11,14-15,21H,12-13,16-17H2,1H3/t21-/m1/s1
InChIKeyGSBLIJRKLPIUPS-OAQYLSRUSA-N
XLogP2.85
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]methanone?
The IUPAC name of [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]methanone (CID 71566120) is [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]methanone.
What is the SMILES notation for [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]methanone?
The canonical SMILES for [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]methanone is Cc1ccc(-n2nccn2)c(C(=O)N2CCOC[C@H]2Cc2cccc(-n3cccn3)c2)c1.
What is the InChIKey of [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]methanone?
The InChIKey is GSBLIJRKLPIUPS-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-18-6-7-23(30-26-9-10-27-30)22(14-18)24(31)28-12-13-32-17-21(28)16-19-4-2-5-20(15-19)29-11-3-8-25-29/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-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]methanone?
[5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]methanone has a molecular weight of 428.50 g/mol, XLogP of 2.85, 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-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 71566120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).