4-(6-fluoroindol-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine

C20H18FN5O3 — CID 23536086

IUPAC4-(6-fluoroindol-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1cc(Nc2ncnc(-n3ccc4ccc(F)cc43)n2)cc(OC)c1OC
InChIInChI=1S/C20H18FN5O3/c1-27-16-9-14(10-17(28-2)18(16)29-3)24-19-22-11-23-20(25-19)26-7-6-12-4-5-13(21)8-15(12)26/h4-11H,1-3H3,(H,22,23,24,25)
InChIKeyBKUOTWXGIWMAGH-UHFFFAOYSA-N
MW395.39 g/mol
LogP3.72
Rot. Bonds6

About 4-(6-fluoroindol-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine

4-(6-fluoroindol-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine (PubChem CID 23536086) has the molecular formula C20H18FN5O3 and a molecular weight of 395.39 g/mol. Its IUPAC name is 4-(6-fluoroindol-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(6-fluoroindol-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
PubChem CID23536086
Molecular FormulaC20H18FN5O3
Molecular Weight395.39 g/mol
Exact Mass395.14
IUPAC Name4-(6-fluoroindol-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1cc(Nc2ncnc(-n3ccc4ccc(F)cc43)n2)cc(OC)c1OC
InChIInChI=1S/C20H18FN5O3/c1-27-16-9-14(10-17(28-2)18(16)29-3)24-19-22-11-23-20(25-19)26-7-6-12-4-5-13(21)8-15(12)26/h4-11H,1-3H3,(H,22,23,24,25)
InChIKeyBKUOTWXGIWMAGH-UHFFFAOYSA-N
XLogP3.72
TPSA83.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(6-fluoroindol-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine 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-(6-fluoroindol-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(6-fluoroindol-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine (CID 23536086) is 4-(6-fluoroindol-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(6-fluoroindol-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(6-fluoroindol-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine is COc1cc(Nc2ncnc(-n3ccc4ccc(F)cc43)n2)cc(OC)c1OC.
What is the InChIKey of 4-(6-fluoroindol-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
The InChIKey is BKUOTWXGIWMAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O3/c1-27-16-9-14(10-17(28-2)18(16)29-3)24-19-22-11-23-20(25-19)26-7-6-12-4-5-13(21)8-15(12)26/h4-11H,1-3H3,(H,22,23,24,25).
What are the key properties of 4-(6-fluoroindol-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
4-(6-fluoroindol-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine has a molecular weight of 395.39 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoroindol-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 23536086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).