[3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-fluorophenyl]-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methanone

C26H19F4N5O2 — CID 58396157

IUPAC[3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-fluorophenyl]-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methanone
SMILESCCc1ncnc(-c2cccnc2Oc2cc(C(=O)N3CCc4ccc(C(F)(F)F)cc43)ccc2F)n1
InChIInChI=1S/C26H19F4N5O2/c1-2-22-32-14-33-23(34-22)18-4-3-10-31-24(18)37-21-12-16(6-8-19(21)27)25(36)35-11-9-15-5-7-17(13-20(15)35)26(28,29)30/h3-8,10,12-14H,2,9,11H2,1H3
InChIKeyBQUKOTAJNCNWQA-UHFFFAOYSA-N
MW509.46 g/mol
LogP5.65
Rot. Bonds5

About [3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-fluorophenyl]-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methanone

[3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-fluorophenyl]-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methanone (PubChem CID 58396157) has the molecular formula C26H19F4N5O2 and a molecular weight of 509.46 g/mol. Its IUPAC name is [3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-fluorophenyl]-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Name[3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-fluorophenyl]-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methanone
PubChem CID58396157
Molecular FormulaC26H19F4N5O2
Molecular Weight509.46 g/mol
Exact Mass509.15
IUPAC Name[3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-fluorophenyl]-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methanone
SMILESCCc1ncnc(-c2cccnc2Oc2cc(C(=O)N3CCc4ccc(C(F)(F)F)cc43)ccc2F)n1
InChIInChI=1S/C26H19F4N5O2/c1-2-22-32-14-33-23(34-22)18-4-3-10-31-24(18)37-21-12-16(6-8-19(21)27)25(36)35-11-9-15-5-7-17(13-20(15)35)26(28,29)30/h3-8,10,12-14H,2,9,11H2,1H3
InChIKeyBQUKOTAJNCNWQA-UHFFFAOYSA-N
XLogP5.65
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.46
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-fluorophenyl]-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methanone 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 [3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-fluorophenyl]-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of [3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-fluorophenyl]-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methanone (CID 58396157) is [3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-fluorophenyl]-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for [3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-fluorophenyl]-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for [3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-fluorophenyl]-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methanone is CCc1ncnc(-c2cccnc2Oc2cc(C(=O)N3CCc4ccc(C(F)(F)F)cc43)ccc2F)n1.
What is the InChIKey of [3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-fluorophenyl]-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methanone?
The InChIKey is BQUKOTAJNCNWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F4N5O2/c1-2-22-32-14-33-23(34-22)18-4-3-10-31-24(18)37-21-12-16(6-8-19(21)27)25(36)35-11-9-15-5-7-17(13-20(15)35)26(28,29)30/h3-8,10,12-14H,2,9,11H2,1H3.
What are the key properties of [3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-fluorophenyl]-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methanone?
[3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-fluorophenyl]-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methanone has a molecular weight of 509.46 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-fluorophenyl]-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 58396157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).