11-(trifluoromethyl)-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaene

C14H9F3N4 — CID 4089119

IUPAC11-(trifluoromethyl)-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaene
SMILESFC(F)(F)c1c2c(nc3ncnn13)-c1ccccc1CC2
InChIInChI=1S/C14H9F3N4/c15-14(16,17)12-10-6-5-8-3-1-2-4-9(8)11(10)20-13-18-7-19-21(12)13/h1-4,7H,5-6H2
InChIKeyDVFYFLAJLXCYFI-UHFFFAOYSA-N
MW290.25 g/mol
LogP2.91
Rot. Bonds

About 11-(trifluoromethyl)-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaene

11-(trifluoromethyl)-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaene (PubChem CID 4089119) has the molecular formula C14H9F3N4 and a molecular weight of 290.25 g/mol. Its IUPAC name is 11-(trifluoromethyl)-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaene.

Molecular Properties

Compound Name11-(trifluoromethyl)-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaene
PubChem CID4089119
Molecular FormulaC14H9F3N4
Molecular Weight290.25 g/mol
Exact Mass290.08
IUPAC Name11-(trifluoromethyl)-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaene
SMILESFC(F)(F)c1c2c(nc3ncnn13)-c1ccccc1CC2
InChIInChI=1S/C14H9F3N4/c15-14(16,17)12-10-6-5-8-3-1-2-4-9(8)11(10)20-13-18-7-19-21(12)13/h1-4,7H,5-6H2
InChIKeyDVFYFLAJLXCYFI-UHFFFAOYSA-N
XLogP2.91
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11-(trifluoromethyl)-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaene with MolForge

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Related Compounds

7-(trifluoromethyl)-5,6-dihydrobenzo[c]acridine
CID 162535864
(4-benzhydrylpiperazin-4-ium-1-yl)-[11-(trifluoromethyl)-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaen-14-yl]methanone
CID 5045228
15-chloro-N-(2-methoxyethyl)-11-(trifluoromethyl)-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaene-14-carboxamide
CID 2054974
N-[(1,5-dimethylpyrazol-4-yl)methyl]-11-(trifluoromethyl)-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaene-14-carboxamide
CID 3370650
(4-benzhydrylpiperazin-1-yl)-[11-(trifluoromethyl)-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaen-14-yl]methanone
CID 1207960
[(4S,4aR,8aS)-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[15-chloro-11-(trifluoromethyl)-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaen-14-yl]methanone
CID 51704937
[(4R,4aS,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[15-chloro-11-(trifluoromethyl)-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaen-14-yl]methanone
CID 29056506
[15-chloro-11-(trifluoromethyl)-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaen-14-yl]-[(2S,4R)-2,4-dimethylpiperidin-1-yl]methanone
CID 994047
[4-(2-methoxyphenyl)piperazin-1-yl]-[11-(trifluoromethyl)-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaen-14-yl]methanone
CID 3124862
15-chloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-11-(trifluoromethyl)-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaene-14-carboxamide
CID 994051
N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-11-(trifluoromethyl)-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaene-14-carboxamide
CID 993939
12-methyl-13-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,11,13,15,17,19-nonaene
CID 14448103

Frequently Asked Questions

What is the IUPAC name of 11-(trifluoromethyl)-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaene?
The IUPAC name of 11-(trifluoromethyl)-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaene (CID 4089119) is 11-(trifluoromethyl)-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaene.
What is the SMILES notation for 11-(trifluoromethyl)-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaene?
The canonical SMILES for 11-(trifluoromethyl)-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaene is FC(F)(F)c1c2c(nc3ncnn13)-c1ccccc1CC2.
What is the InChIKey of 11-(trifluoromethyl)-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaene?
The InChIKey is DVFYFLAJLXCYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4/c15-14(16,17)12-10-6-5-8-3-1-2-4-9(8)11(10)20-13-18-7-19-21(12)13/h1-4,7H,5-6H2.
What are the key properties of 11-(trifluoromethyl)-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaene?
11-(trifluoromethyl)-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaene has a molecular weight of 290.25 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(trifluoromethyl)-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaene is sourced from PubChem (CID 4089119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).