[3-bromo-5-(trifluoromethyl)phenyl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone

C18H15BrF3N5O2 — CID 118471084

IUPAC[3-bromo-5-(trifluoromethyl)phenyl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
SMILESCc1cc(C2CN(C(=O)c3cc(Br)cc(C(F)(F)F)c3)CCO2)n2ncnc2n1
InChIInChI=1S/C18H15BrF3N5O2/c1-10-4-14(27-17(25-10)23-9-24-27)15-8-26(2-3-29-15)16(28)11-5-12(18(20,21)22)7-13(19)6-11/h4-7,9,15H,2-3,8H2,1H3
InChIKeyFWXTVJPNHHISIN-UHFFFAOYSA-N
MW470.25 g/mol
LogP3.43
Rot. Bonds2

About [3-bromo-5-(trifluoromethyl)phenyl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone

[3-bromo-5-(trifluoromethyl)phenyl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (PubChem CID 118471084) has the molecular formula C18H15BrF3N5O2 and a molecular weight of 470.25 g/mol. Its IUPAC name is [3-bromo-5-(trifluoromethyl)phenyl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[3-bromo-5-(trifluoromethyl)phenyl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
PubChem CID118471084
Molecular FormulaC18H15BrF3N5O2
Molecular Weight470.25 g/mol
Exact Mass469.04
IUPAC Name[3-bromo-5-(trifluoromethyl)phenyl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
SMILESCc1cc(C2CN(C(=O)c3cc(Br)cc(C(F)(F)F)c3)CCO2)n2ncnc2n1
InChIInChI=1S/C18H15BrF3N5O2/c1-10-4-14(27-17(25-10)23-9-24-27)15-8-26(2-3-29-15)16(28)11-5-12(18(20,21)22)7-13(19)6-11/h4-7,9,15H,2-3,8H2,1H3
InChIKeyFWXTVJPNHHISIN-UHFFFAOYSA-N
XLogP3.43
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.25
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-bromo-5-(trifluoromethyl)phenyl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)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

Frequently Asked Questions

What is the IUPAC name of [3-bromo-5-(trifluoromethyl)phenyl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The IUPAC name of [3-bromo-5-(trifluoromethyl)phenyl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (CID 118471084) is [3-bromo-5-(trifluoromethyl)phenyl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.
What is the SMILES notation for [3-bromo-5-(trifluoromethyl)phenyl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The canonical SMILES for [3-bromo-5-(trifluoromethyl)phenyl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is Cc1cc(C2CN(C(=O)c3cc(Br)cc(C(F)(F)F)c3)CCO2)n2ncnc2n1.
What is the InChIKey of [3-bromo-5-(trifluoromethyl)phenyl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The InChIKey is FWXTVJPNHHISIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrF3N5O2/c1-10-4-14(27-17(25-10)23-9-24-27)15-8-26(2-3-29-15)16(28)11-5-12(18(20,21)22)7-13(19)6-11/h4-7,9,15H,2-3,8H2,1H3.
What are the key properties of [3-bromo-5-(trifluoromethyl)phenyl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
[3-bromo-5-(trifluoromethyl)phenyl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone has a molecular weight of 470.25 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-5-(trifluoromethyl)phenyl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 118471084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).