4-morpholin-4-yl-2-[6-(trifluoromethyl)-1H-indol-4-yl]-[1]benzofuro[3,2-d]pyrimidine

C23H17F3N4O2 — CID 58507695

IUPAC4-morpholin-4-yl-2-[6-(trifluoromethyl)-1H-indol-4-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESFC(F)(F)c1cc(-c2nc(N3CCOCC3)c3oc4ccccc4c3n2)c2cc[nH]c2c1
InChIInChI=1S/C23H17F3N4O2/c24-23(25,26)13-11-16(14-5-6-27-17(14)12-13)21-28-19-15-3-1-2-4-18(15)32-20(19)22(29-21)30-7-9-31-10-8-30/h1-6,11-12,27H,7-10H2
InChIKeyAQVDEEFFRFOCFH-UHFFFAOYSA-N
MW438.41 g/mol
LogP5.38
Rot. Bonds2

About 4-morpholin-4-yl-2-[6-(trifluoromethyl)-1H-indol-4-yl]-[1]benzofuro[3,2-d]pyrimidine

4-morpholin-4-yl-2-[6-(trifluoromethyl)-1H-indol-4-yl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 58507695) has the molecular formula C23H17F3N4O2 and a molecular weight of 438.41 g/mol. Its IUPAC name is 4-morpholin-4-yl-2-[6-(trifluoromethyl)-1H-indol-4-yl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-morpholin-4-yl-2-[6-(trifluoromethyl)-1H-indol-4-yl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID58507695
Molecular FormulaC23H17F3N4O2
Molecular Weight438.41 g/mol
Exact Mass438.13
IUPAC Name4-morpholin-4-yl-2-[6-(trifluoromethyl)-1H-indol-4-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESFC(F)(F)c1cc(-c2nc(N3CCOCC3)c3oc4ccccc4c3n2)c2cc[nH]c2c1
InChIInChI=1S/C23H17F3N4O2/c24-23(25,26)13-11-16(14-5-6-27-17(14)12-13)21-28-19-15-3-1-2-4-18(15)32-20(19)22(29-21)30-7-9-31-10-8-30/h1-6,11-12,27H,7-10H2
InChIKeyAQVDEEFFRFOCFH-UHFFFAOYSA-N
XLogP5.38
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.41
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-morpholin-4-yl-2-[6-(trifluoromethyl)-1H-indol-4-yl]-[1]benzofuro[3,2-d]pyrimidine 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-morpholin-4-yl-2-[6-(trifluoromethyl)-1H-indol-4-yl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-morpholin-4-yl-2-[6-(trifluoromethyl)-1H-indol-4-yl]-[1]benzofuro[3,2-d]pyrimidine (CID 58507695) is 4-morpholin-4-yl-2-[6-(trifluoromethyl)-1H-indol-4-yl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-morpholin-4-yl-2-[6-(trifluoromethyl)-1H-indol-4-yl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-morpholin-4-yl-2-[6-(trifluoromethyl)-1H-indol-4-yl]-[1]benzofuro[3,2-d]pyrimidine is FC(F)(F)c1cc(-c2nc(N3CCOCC3)c3oc4ccccc4c3n2)c2cc[nH]c2c1.
What is the InChIKey of 4-morpholin-4-yl-2-[6-(trifluoromethyl)-1H-indol-4-yl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is AQVDEEFFRFOCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O2/c24-23(25,26)13-11-16(14-5-6-27-17(14)12-13)21-28-19-15-3-1-2-4-18(15)32-20(19)22(29-21)30-7-9-31-10-8-30/h1-6,11-12,27H,7-10H2.
What are the key properties of 4-morpholin-4-yl-2-[6-(trifluoromethyl)-1H-indol-4-yl]-[1]benzofuro[3,2-d]pyrimidine?
4-morpholin-4-yl-2-[6-(trifluoromethyl)-1H-indol-4-yl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 438.41 g/mol, XLogP of 5.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-2-[6-(trifluoromethyl)-1H-indol-4-yl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 58507695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).