(6R)-9-methyl-6-[2-(trifluoromethyl)phenyl]-1,3,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),10,12,14,16-pentaene-4,8-dione

C21H15F3N4O2 — CID 7327335

IUPAC(6R)-9-methyl-6-[2-(trifluoromethyl)phenyl]-1,3,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),10,12,14,16-pentaene-4,8-dione
SMILESCn1c(=O)c2c(n3c4ccccc4nc13)NC(=O)C[C@@H]2c1ccccc1C(F)(F)F
InChIInChI=1S/C21H15F3N4O2/c1-27-19(30)17-12(11-6-2-3-7-13(11)21(22,23)24)10-16(29)26-18(17)28-15-9-5-4-8-14(15)25-20(27)28/h2-9,12H,10H2,1H3,(H,26,29)/t12-/m1/s1
InChIKeyAGYKTANDHHMBRN-GFCCVEGCSA-N
MW412.37 g/mol
LogP3.68
Rot. Bonds1

About (6R)-9-methyl-6-[2-(trifluoromethyl)phenyl]-1,3,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),10,12,14,16-pentaene-4,8-dione

(6R)-9-methyl-6-[2-(trifluoromethyl)phenyl]-1,3,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),10,12,14,16-pentaene-4,8-dione (PubChem CID 7327335) has the molecular formula C21H15F3N4O2 and a molecular weight of 412.37 g/mol. Its IUPAC name is (6R)-9-methyl-6-[2-(trifluoromethyl)phenyl]-1,3,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),10,12,14,16-pentaene-4,8-dione.

Molecular Properties

Compound Name(6R)-9-methyl-6-[2-(trifluoromethyl)phenyl]-1,3,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),10,12,14,16-pentaene-4,8-dione
PubChem CID7327335
Molecular FormulaC21H15F3N4O2
Molecular Weight412.37 g/mol
Exact Mass412.11
IUPAC Name(6R)-9-methyl-6-[2-(trifluoromethyl)phenyl]-1,3,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),10,12,14,16-pentaene-4,8-dione
SMILESCn1c(=O)c2c(n3c4ccccc4nc13)NC(=O)C[C@@H]2c1ccccc1C(F)(F)F
InChIInChI=1S/C21H15F3N4O2/c1-27-19(30)17-12(11-6-2-3-7-13(11)21(22,23)24)10-16(29)26-18(17)28-15-9-5-4-8-14(15)25-20(27)28/h2-9,12H,10H2,1H3,(H,26,29)/t12-/m1/s1
InChIKeyAGYKTANDHHMBRN-GFCCVEGCSA-N
XLogP3.68
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6R)-9-methyl-6-[2-(trifluoromethyl)phenyl]-1,3,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),10,12,14,16-pentaene-4,8-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

(6S)-6-[4-[(2-fluorophenyl)methoxy]phenyl]-9-methyl-1,3,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),10,12,14,16-pentaene-4,8-dione
CID 42590506
(4R)-1-(6-methoxypyridazin-3-yl)-3-methyl-4-[2-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135882730
(4S)-1-(6-chloropyridazin-3-yl)-3-methyl-4-[2-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135940965
(6S)-6-(5-chloro-2-fluorophenyl)-1,3,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),10,12,14,16-pentaene-4,8-dione
CID 135897689
2-(3,5-dimethylpiperidin-1-yl)-5-[2-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135637799
(6S)-6-(2,3,4-trimethoxyphenyl)-1,3,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),10,12,14,16-pentaene-4,8-dione
CID 135952578
4-(2,5-difluorophenyl)-3-methyl-1-(1-methylbenzimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135964896
(4R)-4-(2,5-difluorophenyl)-3-methyl-1-(1-methylbenzimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136793670
(6S)-6-(2,4-dichlorophenyl)-1,3,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),10,12,14,16-pentaene-4,8-dione
CID 135924901
(5R)-2-propylsulfanyl-5-[2-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135557338
(4R)-4-(5-bromo-2-fluorophenyl)-3-methyl-1-(1-methylbenzimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136793676
7-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 16763630

Frequently Asked Questions

What is the IUPAC name of (6R)-9-methyl-6-[2-(trifluoromethyl)phenyl]-1,3,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),10,12,14,16-pentaene-4,8-dione?
The IUPAC name of (6R)-9-methyl-6-[2-(trifluoromethyl)phenyl]-1,3,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),10,12,14,16-pentaene-4,8-dione (CID 7327335) is (6R)-9-methyl-6-[2-(trifluoromethyl)phenyl]-1,3,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),10,12,14,16-pentaene-4,8-dione.
What is the SMILES notation for (6R)-9-methyl-6-[2-(trifluoromethyl)phenyl]-1,3,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),10,12,14,16-pentaene-4,8-dione?
The canonical SMILES for (6R)-9-methyl-6-[2-(trifluoromethyl)phenyl]-1,3,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),10,12,14,16-pentaene-4,8-dione is Cn1c(=O)c2c(n3c4ccccc4nc13)NC(=O)C[C@@H]2c1ccccc1C(F)(F)F.
What is the InChIKey of (6R)-9-methyl-6-[2-(trifluoromethyl)phenyl]-1,3,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),10,12,14,16-pentaene-4,8-dione?
The InChIKey is AGYKTANDHHMBRN-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H15F3N4O2/c1-27-19(30)17-12(11-6-2-3-7-13(11)21(22,23)24)10-16(29)26-18(17)28-15-9-5-4-8-14(15)25-20(27)28/h2-9,12H,10H2,1H3,(H,26,29)/t12-/m1/s1.
What are the key properties of (6R)-9-methyl-6-[2-(trifluoromethyl)phenyl]-1,3,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),10,12,14,16-pentaene-4,8-dione?
(6R)-9-methyl-6-[2-(trifluoromethyl)phenyl]-1,3,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),10,12,14,16-pentaene-4,8-dione has a molecular weight of 412.37 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-9-methyl-6-[2-(trifluoromethyl)phenyl]-1,3,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),10,12,14,16-pentaene-4,8-dione is sourced from PubChem (CID 7327335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).