(9R)-9-(4-fluorophenyl)-4,12,14-trimethyl-17-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione

C29H24FN3O3 — CID 92500806

IUPAC(9R)-9-(4-fluorophenyl)-4,12,14-trimethyl-17-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione
SMILESCc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2cc(C)ccc2O[C@@H]3c2ccc(F)cc2)cc1
InChIInChI=1S/C29H24FN3O3/c1-16-5-8-18(9-6-16)24-23-25(31(3)29(35)32(4)28(23)34)26-27(19-10-12-20(30)13-11-19)36-22-14-7-17(2)15-21(22)33(24)26/h5-15,27H,1-4H3/t27-/m1/s1
InChIKeyGTEFLGOAAPNLDC-HHHXNRCGSA-N
MW481.53 g/mol
LogP4.93
Rot. Bonds2

About (9R)-9-(4-fluorophenyl)-4,12,14-trimethyl-17-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione

(9R)-9-(4-fluorophenyl)-4,12,14-trimethyl-17-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione (PubChem CID 92500806) has the molecular formula C29H24FN3O3 and a molecular weight of 481.53 g/mol. Its IUPAC name is (9R)-9-(4-fluorophenyl)-4,12,14-trimethyl-17-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione.

Molecular Properties

Compound Name(9R)-9-(4-fluorophenyl)-4,12,14-trimethyl-17-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione
PubChem CID92500806
Molecular FormulaC29H24FN3O3
Molecular Weight481.53 g/mol
Exact Mass481.18
IUPAC Name(9R)-9-(4-fluorophenyl)-4,12,14-trimethyl-17-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione
SMILESCc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2cc(C)ccc2O[C@@H]3c2ccc(F)cc2)cc1
InChIInChI=1S/C29H24FN3O3/c1-16-5-8-18(9-6-16)24-23-25(31(3)29(35)32(4)28(23)34)26-27(19-10-12-20(30)13-11-19)36-22-14-7-17(2)15-21(22)33(24)26/h5-15,27H,1-4H3/t27-/m1/s1
InChIKeyGTEFLGOAAPNLDC-HHHXNRCGSA-N
XLogP4.93
TPSA58.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (9R)-9-(4-fluorophenyl)-4,12,14-trimethyl-17-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(9R)-4,12,14-trimethyl-17-(4-methylphenyl)-9-phenyl-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione
CID 92500792
(9R)-9-(3-fluorophenyl)-4,12,14-trimethyl-17-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione
CID 92500804
(9R)-9-(4-methoxyphenyl)-4,12,14-trimethyl-17-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione
CID 92500818
(9R)-9,17-bis(4-fluorophenyl)-12,14-dimethyl-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione
CID 51681894
(9R)-4,12,14-trimethyl-17-(2-methylphenyl)-9-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione
CID 92500694
(9S)-4,12,14-trimethyl-9-(2-methylphenyl)-17-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione
CID 92500793
12,14-dimethyl-17-(4-methylphenyl)-9-phenyl-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione
CID 20898844
9-(furan-2-yl)-4,12,14-trimethyl-17-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione
CID 20898890
(9S)-9-(3,4-dihydroxyphenyl)-17-(4-fluorophenyl)-12,14-dimethyl-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione
CID 92500846
(9S)-9-(2,4-difluorophenyl)-12,14-dimethyl-17-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione
CID 92500777
4-[12,14-dimethyl-17-(4-methylphenyl)-13,15-dioxo-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaen-9-yl]benzonitrile
CID 46269464
(9R)-4-chloro-12,14-dimethyl-17-(2-methylphenyl)-9-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione
CID 92500726

Frequently Asked Questions

What is the IUPAC name of (9R)-9-(4-fluorophenyl)-4,12,14-trimethyl-17-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione?
The IUPAC name of (9R)-9-(4-fluorophenyl)-4,12,14-trimethyl-17-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione (CID 92500806) is (9R)-9-(4-fluorophenyl)-4,12,14-trimethyl-17-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione.
What is the SMILES notation for (9R)-9-(4-fluorophenyl)-4,12,14-trimethyl-17-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione?
The canonical SMILES for (9R)-9-(4-fluorophenyl)-4,12,14-trimethyl-17-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione is Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2cc(C)ccc2O[C@@H]3c2ccc(F)cc2)cc1.
What is the InChIKey of (9R)-9-(4-fluorophenyl)-4,12,14-trimethyl-17-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione?
The InChIKey is GTEFLGOAAPNLDC-HHHXNRCGSA-N. The full InChI is InChI=1S/C29H24FN3O3/c1-16-5-8-18(9-6-16)24-23-25(31(3)29(35)32(4)28(23)34)26-27(19-10-12-20(30)13-11-19)36-22-14-7-17(2)15-21(22)33(24)26/h5-15,27H,1-4H3/t27-/m1/s1.
What are the key properties of (9R)-9-(4-fluorophenyl)-4,12,14-trimethyl-17-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione?
(9R)-9-(4-fluorophenyl)-4,12,14-trimethyl-17-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione has a molecular weight of 481.53 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-9-(4-fluorophenyl)-4,12,14-trimethyl-17-(4-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione is sourced from PubChem (CID 92500806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).