6-[[3,5-difluoro-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methoxy]-3,5,9-triazatetracyclo[8.2.2.01,9.03,8]tetradeca-5,7-dien-4-one

C24H19F5N4O3 — CID 169006812

IUPAC6-[[3,5-difluoro-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methoxy]-3,5,9-triazatetracyclo[8.2.2.01,9.03,8]tetradeca-5,7-dien-4-one
SMILESO=c1nc(OCc2cc(F)c(Oc3cccc(C(F)(F)F)n3)c(F)c2)cc2n1CC13CCC(CC1)N23
InChIInChI=1S/C24H19F5N4O3/c25-15-8-13(9-16(26)21(15)36-18-3-1-2-17(30-18)24(27,28)29)11-35-19-10-20-32(22(34)31-19)12-23-6-4-14(5-7-23)33(20)23/h1-3,8-10,14H,4-7,11-12H2
InChIKeyIZLUWIMFIUIXLU-UHFFFAOYSA-N
MW506.43 g/mol
LogP4.82
Rot. Bonds5

About 6-[[3,5-difluoro-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methoxy]-3,5,9-triazatetracyclo[8.2.2.01,9.03,8]tetradeca-5,7-dien-4-one

6-[[3,5-difluoro-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methoxy]-3,5,9-triazatetracyclo[8.2.2.01,9.03,8]tetradeca-5,7-dien-4-one (PubChem CID 169006812) has the molecular formula C24H19F5N4O3 and a molecular weight of 506.43 g/mol. Its IUPAC name is 6-[[3,5-difluoro-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methoxy]-3,5,9-triazatetracyclo[8.2.2.01,9.03,8]tetradeca-5,7-dien-4-one.

Molecular Properties

Compound Name6-[[3,5-difluoro-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methoxy]-3,5,9-triazatetracyclo[8.2.2.01,9.03,8]tetradeca-5,7-dien-4-one
PubChem CID169006812
Molecular FormulaC24H19F5N4O3
Molecular Weight506.43 g/mol
Exact Mass506.14
IUPAC Name6-[[3,5-difluoro-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methoxy]-3,5,9-triazatetracyclo[8.2.2.01,9.03,8]tetradeca-5,7-dien-4-one
SMILESO=c1nc(OCc2cc(F)c(Oc3cccc(C(F)(F)F)n3)c(F)c2)cc2n1CC13CCC(CC1)N23
InChIInChI=1S/C24H19F5N4O3/c25-15-8-13(9-16(26)21(15)36-18-3-1-2-17(30-18)24(27,28)29)11-35-19-10-20-32(22(34)31-19)12-23-6-4-14(5-7-23)33(20)23/h1-3,8-10,14H,4-7,11-12H2
InChIKeyIZLUWIMFIUIXLU-UHFFFAOYSA-N
XLogP4.82
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.43
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[[3,5-difluoro-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methoxy]-3,5,9-triazatetracyclo[8.2.2.01,9.03,8]tetradeca-5,7-dien-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[3,5-difluoro-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methoxy]-3,5,9-triazatetracyclo[8.2.2.01,9.03,8]tetradeca-5,7-dien-4-one?
The IUPAC name of 6-[[3,5-difluoro-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methoxy]-3,5,9-triazatetracyclo[8.2.2.01,9.03,8]tetradeca-5,7-dien-4-one (CID 169006812) is 6-[[3,5-difluoro-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methoxy]-3,5,9-triazatetracyclo[8.2.2.01,9.03,8]tetradeca-5,7-dien-4-one.
What is the SMILES notation for 6-[[3,5-difluoro-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methoxy]-3,5,9-triazatetracyclo[8.2.2.01,9.03,8]tetradeca-5,7-dien-4-one?
The canonical SMILES for 6-[[3,5-difluoro-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methoxy]-3,5,9-triazatetracyclo[8.2.2.01,9.03,8]tetradeca-5,7-dien-4-one is O=c1nc(OCc2cc(F)c(Oc3cccc(C(F)(F)F)n3)c(F)c2)cc2n1CC13CCC(CC1)N23.
What is the InChIKey of 6-[[3,5-difluoro-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methoxy]-3,5,9-triazatetracyclo[8.2.2.01,9.03,8]tetradeca-5,7-dien-4-one?
The InChIKey is IZLUWIMFIUIXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F5N4O3/c25-15-8-13(9-16(26)21(15)36-18-3-1-2-17(30-18)24(27,28)29)11-35-19-10-20-32(22(34)31-19)12-23-6-4-14(5-7-23)33(20)23/h1-3,8-10,14H,4-7,11-12H2.
What are the key properties of 6-[[3,5-difluoro-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methoxy]-3,5,9-triazatetracyclo[8.2.2.01,9.03,8]tetradeca-5,7-dien-4-one?
6-[[3,5-difluoro-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methoxy]-3,5,9-triazatetracyclo[8.2.2.01,9.03,8]tetradeca-5,7-dien-4-one has a molecular weight of 506.43 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3,5-difluoro-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methoxy]-3,5,9-triazatetracyclo[8.2.2.01,9.03,8]tetradeca-5,7-dien-4-one is sourced from PubChem (CID 169006812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).