15-chloro-11-[2-[4-(trifluoromethyl)phenyl]ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene

C23H23ClF3N3 — CID 71007949

IUPAC15-chloro-11-[2-[4-(trifluoromethyl)phenyl]ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene
SMILESFC(F)(F)c1ccc(CCn2c3c(c4cc(Cl)cnc42)C2CCCCN2CC3)cc1
InChIInChI=1S/C23H23ClF3N3/c24-17-13-18-21-19-3-1-2-10-29(19)11-9-20(21)30(22(18)28-14-17)12-8-15-4-6-16(7-5-15)23(25,26)27/h4-7,13-14,19H,1-3,8-12H2
InChIKeyMZQHZSSAQJFFSN-UHFFFAOYSA-N
MW433.91 g/mol
LogP6.03
Rot. Bonds3

About 15-chloro-11-[2-[4-(trifluoromethyl)phenyl]ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene

15-chloro-11-[2-[4-(trifluoromethyl)phenyl]ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene (PubChem CID 71007949) has the molecular formula C23H23ClF3N3 and a molecular weight of 433.91 g/mol. Its IUPAC name is 15-chloro-11-[2-[4-(trifluoromethyl)phenyl]ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene.

Molecular Properties

Compound Name15-chloro-11-[2-[4-(trifluoromethyl)phenyl]ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene
PubChem CID71007949
Molecular FormulaC23H23ClF3N3
Molecular Weight433.91 g/mol
Exact Mass433.15
IUPAC Name15-chloro-11-[2-[4-(trifluoromethyl)phenyl]ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene
SMILESFC(F)(F)c1ccc(CCn2c3c(c4cc(Cl)cnc42)C2CCCCN2CC3)cc1
InChIInChI=1S/C23H23ClF3N3/c24-17-13-18-21-19-3-1-2-10-29(19)11-9-20(21)30(22(18)28-14-17)12-8-15-4-6-16(7-5-15)23(25,26)27/h4-7,13-14,19H,1-3,8-12H2
InChIKeyMZQHZSSAQJFFSN-UHFFFAOYSA-N
XLogP6.03
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.91
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 15-chloro-11-[2-[4-(trifluoromethyl)phenyl]ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-chloro-11-[2-[4-(trifluoromethyl)phenyl]ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene?
The IUPAC name of 15-chloro-11-[2-[4-(trifluoromethyl)phenyl]ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene (CID 71007949) is 15-chloro-11-[2-[4-(trifluoromethyl)phenyl]ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene.
What is the SMILES notation for 15-chloro-11-[2-[4-(trifluoromethyl)phenyl]ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene?
The canonical SMILES for 15-chloro-11-[2-[4-(trifluoromethyl)phenyl]ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene is FC(F)(F)c1ccc(CCn2c3c(c4cc(Cl)cnc42)C2CCCCN2CC3)cc1.
What is the InChIKey of 15-chloro-11-[2-[4-(trifluoromethyl)phenyl]ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene?
The InChIKey is MZQHZSSAQJFFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF3N3/c24-17-13-18-21-19-3-1-2-10-29(19)11-9-20(21)30(22(18)28-14-17)12-8-15-4-6-16(7-5-15)23(25,26)27/h4-7,13-14,19H,1-3,8-12H2.
What are the key properties of 15-chloro-11-[2-[4-(trifluoromethyl)phenyl]ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene?
15-chloro-11-[2-[4-(trifluoromethyl)phenyl]ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene has a molecular weight of 433.91 g/mol, XLogP of 6.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-chloro-11-[2-[4-(trifluoromethyl)phenyl]ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene is sourced from PubChem (CID 71007949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).