1-(15-chloro-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol

C24H25ClF3N3O — CID 71008387

IUPAC1-(15-chloro-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol
SMILESCC(O)(Cn1c2c(c3cc(Cl)cnc31)C1CCCCN1CC2)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H25ClF3N3O/c1-23(32,15-5-7-16(8-6-15)24(26,27)28)14-31-20-9-11-30-10-3-2-4-19(30)21(20)18-12-17(25)13-29-22(18)31/h5-8,12-13,19,32H,2-4,9-11,14H2,1H3
InChIKeyVECQTYXVCQWIKF-UHFFFAOYSA-N
MW463.93 g/mol
LogP5.70
Rot. Bonds3

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

1-(15-chloro-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 71008387) has the molecular formula C24H25ClF3N3O and a molecular weight of 463.93 g/mol. Its IUPAC name is 1-(15-chloro-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-(15-chloro-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID71008387
Molecular FormulaC24H25ClF3N3O
Molecular Weight463.93 g/mol
Exact Mass463.16
IUPAC Name1-(15-chloro-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol
SMILESCC(O)(Cn1c2c(c3cc(Cl)cnc31)C1CCCCN1CC2)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H25ClF3N3O/c1-23(32,15-5-7-16(8-6-15)24(26,27)28)14-31-20-9-11-30-10-3-2-4-19(30)21(20)18-12-17(25)13-29-22(18)31/h5-8,12-13,19,32H,2-4,9-11,14H2,1H3
InChIKeyVECQTYXVCQWIKF-UHFFFAOYSA-N
XLogP5.70
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.93
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of 1-(15-chloro-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of 1-(15-chloro-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol (CID 71008387) is 1-(15-chloro-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-(15-chloro-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for 1-(15-chloro-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol is CC(O)(Cn1c2c(c3cc(Cl)cnc31)C1CCCCN1CC2)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(15-chloro-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is VECQTYXVCQWIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClF3N3O/c1-23(32,15-5-7-16(8-6-15)24(26,27)28)14-31-20-9-11-30-10-3-2-4-19(30)21(20)18-12-17(25)13-29-22(18)31/h5-8,12-13,19,32H,2-4,9-11,14H2,1H3.
What are the key properties of 1-(15-chloro-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol?
1-(15-chloro-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 463.93 g/mol, XLogP of 5.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(15-chloro-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 71008387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).