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

C25H24N6O2 — CID 71566033

IUPAC[(3R)-3-[[3-(4-methylpyrimidin-2-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccnc(-c2cccc(C[C@@H]3COCCN3C(=O)c3ccccc3-n3nccn3)c2)n1
InChIInChI=1S/C25H24N6O2/c1-18-9-10-26-24(29-18)20-6-4-5-19(15-20)16-21-17-33-14-13-30(21)25(32)22-7-2-3-8-23(22)31-27-11-12-28-31/h2-12,15,21H,13-14,16-17H2,1H3/t21-/m1/s1
InChIKeyWXVVKTBDFXUAHG-OAQYLSRUSA-N
MW440.51 g/mol
LogP3.12
Rot. Bonds5

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

[(3R)-3-[[3-(4-methylpyrimidin-2-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 71566033) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is [(3R)-3-[[3-(4-methylpyrimidin-2-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-[[3-(4-methylpyrimidin-2-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
PubChem CID71566033
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC Name[(3R)-3-[[3-(4-methylpyrimidin-2-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccnc(-c2cccc(C[C@@H]3COCCN3C(=O)c3ccccc3-n3nccn3)c2)n1
InChIInChI=1S/C25H24N6O2/c1-18-9-10-26-24(29-18)20-6-4-5-19(15-20)16-21-17-33-14-13-30(21)25(32)22-7-2-3-8-23(22)31-27-11-12-28-31/h2-12,15,21H,13-14,16-17H2,1H3/t21-/m1/s1
InChIKeyWXVVKTBDFXUAHG-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

Analyze [(3R)-3-[[3-(4-methylpyrimidin-2-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[[3-(4-methylpyrimidin-2-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [(3R)-3-[[3-(4-methylpyrimidin-2-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone (CID 71566033) is [(3R)-3-[[3-(4-methylpyrimidin-2-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(3R)-3-[[3-(4-methylpyrimidin-2-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [(3R)-3-[[3-(4-methylpyrimidin-2-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone is Cc1ccnc(-c2cccc(C[C@@H]3COCCN3C(=O)c3ccccc3-n3nccn3)c2)n1.
What is the InChIKey of [(3R)-3-[[3-(4-methylpyrimidin-2-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is WXVVKTBDFXUAHG-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-18-9-10-26-24(29-18)20-6-4-5-19(15-20)16-21-17-33-14-13-30(21)25(32)22-7-2-3-8-23(22)31-27-11-12-28-31/h2-12,15,21H,13-14,16-17H2,1H3/t21-/m1/s1.
What are the key properties of [(3R)-3-[[3-(4-methylpyrimidin-2-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone?
[(3R)-3-[[3-(4-methylpyrimidin-2-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]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 [(3R)-3-[[3-(4-methylpyrimidin-2-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 71566033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).