(2R,3S,8R,10R)-2-(3-fluoro-2-hydroxyphenyl)-3,5,6,13-tetramethyl-11,13,15-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),5-diene-4,7,12,14-tetrone

C24H24FN3O5 — CID 6641189

IUPAC(2R,3S,8R,10R)-2-(3-fluoro-2-hydroxyphenyl)-3,5,6,13-tetramethyl-11,13,15-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),5-diene-4,7,12,14-tetrone
SMILESCC1=C(C)C(=O)[C@@]2(C)[C@@H](c3cccc(F)c3O)C3=CCn4c(=O)n(C)c(=O)n4[C@@H]3C[C@H]2C1=O
InChIInChI=1S/C24H24FN3O5/c1-11-12(2)21(31)24(3)15(19(11)29)10-17-13(18(24)14-6-5-7-16(25)20(14)30)8-9-27-22(32)26(4)23(33)28(17)27/h5-8,15,17-18,30H,9-10H2,1-4H3/t15-,17+,18+,24+/m0/s1
InChIKeyXOPIQJMDHJGDKS-YQCHORPJSA-N
MW453.47 g/mol
LogP1.97
Rot. Bonds1

About (2R,3S,8R,10R)-2-(3-fluoro-2-hydroxyphenyl)-3,5,6,13-tetramethyl-11,13,15-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),5-diene-4,7,12,14-tetrone

(2R,3S,8R,10R)-2-(3-fluoro-2-hydroxyphenyl)-3,5,6,13-tetramethyl-11,13,15-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),5-diene-4,7,12,14-tetrone (PubChem CID 6641189) has the molecular formula C24H24FN3O5 and a molecular weight of 453.47 g/mol. Its IUPAC name is (2R,3S,8R,10R)-2-(3-fluoro-2-hydroxyphenyl)-3,5,6,13-tetramethyl-11,13,15-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),5-diene-4,7,12,14-tetrone.

Molecular Properties

Compound Name(2R,3S,8R,10R)-2-(3-fluoro-2-hydroxyphenyl)-3,5,6,13-tetramethyl-11,13,15-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),5-diene-4,7,12,14-tetrone
PubChem CID6641189
Molecular FormulaC24H24FN3O5
Molecular Weight453.47 g/mol
Exact Mass453.17
IUPAC Name(2R,3S,8R,10R)-2-(3-fluoro-2-hydroxyphenyl)-3,5,6,13-tetramethyl-11,13,15-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),5-diene-4,7,12,14-tetrone
SMILESCC1=C(C)C(=O)[C@@]2(C)[C@@H](c3cccc(F)c3O)C3=CCn4c(=O)n(C)c(=O)n4[C@@H]3C[C@H]2C1=O
InChIInChI=1S/C24H24FN3O5/c1-11-12(2)21(31)24(3)15(19(11)29)10-17-13(18(24)14-6-5-7-16(25)20(14)30)8-9-27-22(32)26(4)23(33)28(17)27/h5-8,15,17-18,30H,9-10H2,1-4H3/t15-,17+,18+,24+/m0/s1
InChIKeyXOPIQJMDHJGDKS-YQCHORPJSA-N
XLogP1.97
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.47
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,3S,8R,10R)-2-(3-fluoro-2-hydroxyphenyl)-3,5,6,13-tetramethyl-11,13,15-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),5-diene-4,7,12,14-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,8R,10R)-2-(3-fluoro-2-hydroxyphenyl)-3,5,6,13-tetramethyl-11,13,15-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),5-diene-4,7,12,14-tetrone?
The IUPAC name of (2R,3S,8R,10R)-2-(3-fluoro-2-hydroxyphenyl)-3,5,6,13-tetramethyl-11,13,15-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),5-diene-4,7,12,14-tetrone (CID 6641189) is (2R,3S,8R,10R)-2-(3-fluoro-2-hydroxyphenyl)-3,5,6,13-tetramethyl-11,13,15-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),5-diene-4,7,12,14-tetrone.
What is the SMILES notation for (2R,3S,8R,10R)-2-(3-fluoro-2-hydroxyphenyl)-3,5,6,13-tetramethyl-11,13,15-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),5-diene-4,7,12,14-tetrone?
The canonical SMILES for (2R,3S,8R,10R)-2-(3-fluoro-2-hydroxyphenyl)-3,5,6,13-tetramethyl-11,13,15-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),5-diene-4,7,12,14-tetrone is CC1=C(C)C(=O)[C@@]2(C)[C@@H](c3cccc(F)c3O)C3=CCn4c(=O)n(C)c(=O)n4[C@@H]3C[C@H]2C1=O.
What is the InChIKey of (2R,3S,8R,10R)-2-(3-fluoro-2-hydroxyphenyl)-3,5,6,13-tetramethyl-11,13,15-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),5-diene-4,7,12,14-tetrone?
The InChIKey is XOPIQJMDHJGDKS-YQCHORPJSA-N. The full InChI is InChI=1S/C24H24FN3O5/c1-11-12(2)21(31)24(3)15(19(11)29)10-17-13(18(24)14-6-5-7-16(25)20(14)30)8-9-27-22(32)26(4)23(33)28(17)27/h5-8,15,17-18,30H,9-10H2,1-4H3/t15-,17+,18+,24+/m0/s1.
What are the key properties of (2R,3S,8R,10R)-2-(3-fluoro-2-hydroxyphenyl)-3,5,6,13-tetramethyl-11,13,15-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),5-diene-4,7,12,14-tetrone?
(2R,3S,8R,10R)-2-(3-fluoro-2-hydroxyphenyl)-3,5,6,13-tetramethyl-11,13,15-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),5-diene-4,7,12,14-tetrone has a molecular weight of 453.47 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,8R,10R)-2-(3-fluoro-2-hydroxyphenyl)-3,5,6,13-tetramethyl-11,13,15-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),5-diene-4,7,12,14-tetrone is sourced from PubChem (CID 6641189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).