2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine

C16H14F3N3O — CID 78140697

IUPAC2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine
SMILESFC(F)(F)c1ccc2c(n1)[nH]c1ccc(C3CNCCO3)cc12
InChIInChI=1S/C16H14F3N3O/c17-16(18,19)14-4-2-10-11-7-9(13-8-20-5-6-23-13)1-3-12(11)21-15(10)22-14/h1-4,7,13,20H,5-6,8H2,(H,21,22)
InChIKeyNPRYQYIFPROKNO-UHFFFAOYSA-N
MW321.30 g/mol
LogP3.40
Rot. Bonds1

About 2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine

2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine (PubChem CID 78140697) has the molecular formula C16H14F3N3O and a molecular weight of 321.30 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine
PubChem CID78140697
Molecular FormulaC16H14F3N3O
Molecular Weight321.30 g/mol
Exact Mass321.11
IUPAC Name2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine
SMILESFC(F)(F)c1ccc2c(n1)[nH]c1ccc(C3CNCCO3)cc12
InChIInChI=1S/C16H14F3N3O/c17-16(18,19)14-4-2-10-11-7-9(13-8-20-5-6-23-13)1-3-12(11)21-15(10)22-14/h1-4,7,13,20H,5-6,8H2,(H,21,22)
InChIKeyNPRYQYIFPROKNO-UHFFFAOYSA-N
XLogP3.40
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-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 2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine?
The IUPAC name of 2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine (CID 78140697) is 2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine.
What is the SMILES notation for 2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine?
The canonical SMILES for 2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine is FC(F)(F)c1ccc2c(n1)[nH]c1ccc(C3CNCCO3)cc12.
What is the InChIKey of 2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine?
The InChIKey is NPRYQYIFPROKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O/c17-16(18,19)14-4-2-10-11-7-9(13-8-20-5-6-23-13)1-3-12(11)21-15(10)22-14/h1-4,7,13,20H,5-6,8H2,(H,21,22).
What are the key properties of 2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine?
2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine has a molecular weight of 321.30 g/mol, XLogP of 3.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine is sourced from PubChem (CID 78140697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).