[1-benzyl-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol

C23H19F3N2O3 — CID 118967102

IUPAC[1-benzyl-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol
SMILESCOc1ccc(-c2c(CO)n(Cc3ccccc3)c3ccc(OC(F)(F)F)cc23)cn1
InChIInChI=1S/C23H19F3N2O3/c1-30-21-10-7-16(12-27-21)22-18-11-17(31-23(24,25)26)8-9-19(18)28(20(22)14-29)13-15-5-3-2-4-6-15/h2-12,29H,13-14H2,1H3
InChIKeyDXANIYIXEGJMTP-UHFFFAOYSA-N
MW428.41 g/mol
LogP5.15
Rot. Bonds6

About [1-benzyl-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol

[1-benzyl-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol (PubChem CID 118967102) has the molecular formula C23H19F3N2O3 and a molecular weight of 428.41 g/mol. Its IUPAC name is [1-benzyl-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol.

Molecular Properties

Compound Name[1-benzyl-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol
PubChem CID118967102
Molecular FormulaC23H19F3N2O3
Molecular Weight428.41 g/mol
Exact Mass428.13
IUPAC Name[1-benzyl-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol
SMILESCOc1ccc(-c2c(CO)n(Cc3ccccc3)c3ccc(OC(F)(F)F)cc23)cn1
InChIInChI=1S/C23H19F3N2O3/c1-30-21-10-7-16(12-27-21)22-18-11-17(31-23(24,25)26)8-9-19(18)28(20(22)14-29)13-15-5-3-2-4-6-15/h2-12,29H,13-14H2,1H3
InChIKeyDXANIYIXEGJMTP-UHFFFAOYSA-N
XLogP5.15
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.41
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-benzyl-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol 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 [1-benzyl-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol?
The IUPAC name of [1-benzyl-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol (CID 118967102) is [1-benzyl-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol.
What is the SMILES notation for [1-benzyl-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol?
The canonical SMILES for [1-benzyl-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol is COc1ccc(-c2c(CO)n(Cc3ccccc3)c3ccc(OC(F)(F)F)cc23)cn1.
What is the InChIKey of [1-benzyl-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol?
The InChIKey is DXANIYIXEGJMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O3/c1-30-21-10-7-16(12-27-21)22-18-11-17(31-23(24,25)26)8-9-19(18)28(20(22)14-29)13-15-5-3-2-4-6-15/h2-12,29H,13-14H2,1H3.
What are the key properties of [1-benzyl-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol?
[1-benzyl-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol has a molecular weight of 428.41 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol is sourced from PubChem (CID 118967102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).