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

C24H25N7O2 — CID 71565797

IUPAC[4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCOC[C@H]2Cc2cccc(-n3nccn3)c2)c(-n2nccn2)cc1C
InChIInChI=1S/C24H25N7O2/c1-17-12-22(23(13-18(17)2)31-27-8-9-28-31)24(32)29-10-11-33-16-21(29)15-19-4-3-5-20(14-19)30-25-6-7-26-30/h3-9,12-14,21H,10-11,15-16H2,1-2H3/t21-/m1/s1
InChIKeyWWEKFLWFASRPJA-OAQYLSRUSA-N
MW443.51 g/mol
LogP2.55
Rot. Bonds5

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

[4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone (PubChem CID 71565797) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is [4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name[4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
PubChem CID71565797
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC Name[4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCOC[C@H]2Cc2cccc(-n3nccn3)c2)c(-n2nccn2)cc1C
InChIInChI=1S/C24H25N7O2/c1-17-12-22(23(13-18(17)2)31-27-8-9-28-31)24(32)29-10-11-33-16-21(29)15-19-4-3-5-20(14-19)30-25-6-7-26-30/h3-9,12-14,21H,10-11,15-16H2,1-2H3/t21-/m1/s1
InChIKeyWWEKFLWFASRPJA-OAQYLSRUSA-N
XLogP2.55
TPSA90.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

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
US9150566, Ref. 4
CID 89560395
US9150566, Ref. 2
CID 89560421
[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-[[3-chloro-5-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone
CID 71565664
[(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
CID 71565732
[4-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71565952

Frequently Asked Questions

What is the IUPAC name of [4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone?
The IUPAC name of [4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone (CID 71565797) is [4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone.
What is the SMILES notation for [4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone?
The canonical SMILES for [4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone is Cc1cc(C(=O)N2CCOC[C@H]2Cc2cccc(-n3nccn3)c2)c(-n2nccn2)cc1C.
What is the InChIKey of [4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone?
The InChIKey is WWEKFLWFASRPJA-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-17-12-22(23(13-18(17)2)31-27-8-9-28-31)24(32)29-10-11-33-16-21(29)15-19-4-3-5-20(14-19)30-25-6-7-26-30/h3-9,12-14,21H,10-11,15-16H2,1-2H3/t21-/m1/s1.
What are the key properties of [4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone?
[4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone has a molecular weight of 443.51 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 71565797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).