4-[4-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-6-(1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine

C21H20F3N7O — CID 57398248

IUPAC4-[4-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-6-(1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine
SMILESCCc1cc(C(F)(F)F)nn1-c1nc(-c2cccc3[nH]ccc23)nc(N2CCOCC2)n1
InChIInChI=1S/C21H20F3N7O/c1-2-13-12-17(21(22,23)24)29-31(13)20-27-18(15-4-3-5-16-14(15)6-7-25-16)26-19(28-20)30-8-10-32-11-9-30/h3-7,12,25H,2,8-11H2,1H3
InChIKeyCIOQQBODAJMFKD-UHFFFAOYSA-N
MW443.43 g/mol
LogP3.62
Rot. Bonds4

About 4-[4-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-6-(1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine

4-[4-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-6-(1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine (PubChem CID 57398248) has the molecular formula C21H20F3N7O and a molecular weight of 443.43 g/mol. Its IUPAC name is 4-[4-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-6-(1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-6-(1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine
PubChem CID57398248
Molecular FormulaC21H20F3N7O
Molecular Weight443.43 g/mol
Exact Mass443.17
IUPAC Name4-[4-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-6-(1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine
SMILESCCc1cc(C(F)(F)F)nn1-c1nc(-c2cccc3[nH]ccc23)nc(N2CCOCC2)n1
InChIInChI=1S/C21H20F3N7O/c1-2-13-12-17(21(22,23)24)29-31(13)20-27-18(15-4-3-5-16-14(15)6-7-25-16)26-19(28-20)30-8-10-32-11-9-30/h3-7,12,25H,2,8-11H2,1H3
InChIKeyCIOQQBODAJMFKD-UHFFFAOYSA-N
XLogP3.62
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-6-(1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine 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 4-[4-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-6-(1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-6-(1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine (CID 57398248) is 4-[4-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-6-(1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-6-(1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-6-(1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine is CCc1cc(C(F)(F)F)nn1-c1nc(-c2cccc3[nH]ccc23)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-6-(1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine?
The InChIKey is CIOQQBODAJMFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N7O/c1-2-13-12-17(21(22,23)24)29-31(13)20-27-18(15-4-3-5-16-14(15)6-7-25-16)26-19(28-20)30-8-10-32-11-9-30/h3-7,12,25H,2,8-11H2,1H3.
What are the key properties of 4-[4-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-6-(1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine?
4-[4-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-6-(1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine has a molecular weight of 443.43 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-6-(1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 57398248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).