8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene

C21H21F3N4 — CID 67036634

IUPAC8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene
SMILESFC(F)(F)c1ccc(CCn2c3c(c4cccnc42)CN2CCCC2C3)cn1
InChIInChI=1S/C21H21F3N4/c22-21(23,24)19-6-5-14(12-26-19)7-10-28-18-11-15-3-2-9-27(15)13-17(18)16-4-1-8-25-20(16)28/h1,4-6,8,12,15H,2-3,7,9-11,13H2
InChIKeyIQBJPNGKXBNVRJ-UHFFFAOYSA-N
MW386.42 g/mol
LogP4.21
Rot. Bonds3

About 8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene

8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene (PubChem CID 67036634) has the molecular formula C21H21F3N4 and a molecular weight of 386.42 g/mol. Its IUPAC name is 8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene.

Molecular Properties

Compound Name8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene
PubChem CID67036634
Molecular FormulaC21H21F3N4
Molecular Weight386.42 g/mol
Exact Mass386.17
IUPAC Name8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene
SMILESFC(F)(F)c1ccc(CCn2c3c(c4cccnc42)CN2CCCC2C3)cn1
InChIInChI=1S/C21H21F3N4/c22-21(23,24)19-6-5-14(12-26-19)7-10-28-18-11-15-3-2-9-27(15)13-17(18)16-4-1-8-25-20(16)28/h1,4-6,8,12,15H,2-3,7,9-11,13H2
InChIKeyIQBJPNGKXBNVRJ-UHFFFAOYSA-N
XLogP4.21
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene?
The IUPAC name of 8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene (CID 67036634) is 8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene.
What is the SMILES notation for 8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene?
The canonical SMILES for 8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene is FC(F)(F)c1ccc(CCn2c3c(c4cccnc42)CN2CCCC2C3)cn1.
What is the InChIKey of 8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene?
The InChIKey is IQBJPNGKXBNVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4/c22-21(23,24)19-6-5-14(12-26-19)7-10-28-18-11-15-3-2-9-27(15)13-17(18)16-4-1-8-25-20(16)28/h1,4-6,8,12,15H,2-3,7,9-11,13H2.
What are the key properties of 8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene?
8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene has a molecular weight of 386.42 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene is sourced from PubChem (CID 67036634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).