10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene

C21H21F3N4 — CID 67434028

IUPAC10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
SMILESFC(F)(F)c1ccc(CCn2c3c(c4cccnc42)C2CCCN2CC3)cn1
InChIInChI=1S/C21H21F3N4/c22-21(23,24)18-6-5-14(13-26-18)7-12-28-17-8-11-27-10-2-4-16(27)19(17)15-3-1-9-25-20(15)28/h1,3,5-6,9,13,16H,2,4,7-8,10-12H2
InChIKeyIUEBFVUXWGRHRW-UHFFFAOYSA-N
MW386.42 g/mol
LogP4.39
Rot. Bonds3

About 10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene

10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene (PubChem CID 67434028) has the molecular formula C21H21F3N4 and a molecular weight of 386.42 g/mol. Its IUPAC name is 10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene.

Molecular Properties

Compound Name10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
PubChem CID67434028
Molecular FormulaC21H21F3N4
Molecular Weight386.42 g/mol
Exact Mass386.17
IUPAC Name10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
SMILESFC(F)(F)c1ccc(CCn2c3c(c4cccnc42)C2CCCN2CC3)cn1
InChIInChI=1S/C21H21F3N4/c22-21(23,24)18-6-5-14(13-26-18)7-12-28-17-8-11-27-10-2-4-16(27)19(17)15-3-1-9-25-20(15)28/h1,3,5-6,9,13,16H,2,4,7-8,10-12H2
InChIKeyIUEBFVUXWGRHRW-UHFFFAOYSA-N
XLogP4.39
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 ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?
The IUPAC name of 10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene (CID 67434028) is 10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene.
What is the SMILES notation for 10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?
The canonical SMILES for 10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene is FC(F)(F)c1ccc(CCn2c3c(c4cccnc42)C2CCCN2CC3)cn1.
What is the InChIKey of 10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?
The InChIKey is IUEBFVUXWGRHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4/c22-21(23,24)18-6-5-14(13-26-18)7-12-28-17-8-11-27-10-2-4-16(27)19(17)15-3-1-9-25-20(15)28/h1,3,5-6,9,13,16H,2,4,7-8,10-12H2.
What are the key properties of 10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?
10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene has a molecular weight of 386.42 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene is sourced from PubChem (CID 67434028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).