15-bromo-9-(4-fluorophenyl)-2,3,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,7,9,14,16-heptaene

C19H12BrFN4 — CID 129314287

IUPAC15-bromo-9-(4-fluorophenyl)-2,3,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,7,9,14,16-heptaene
SMILESFc1ccc(-c2cc3n(c2)Cc2cc(Br)ccc2-n2ncnc2-3)cc1
InChIInChI=1S/C19H12BrFN4/c20-15-3-6-17-14(7-15)10-24-9-13(12-1-4-16(21)5-2-12)8-18(24)19-22-11-23-25(17)19/h1-9,11H,10H2
InChIKeyFPAMGMNAOUWHIX-UHFFFAOYSA-N
MW395.24 g/mol
LogP4.67
Rot. Bonds1

About 15-bromo-9-(4-fluorophenyl)-2,3,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,7,9,14,16-heptaene

15-bromo-9-(4-fluorophenyl)-2,3,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,7,9,14,16-heptaene (PubChem CID 129314287) has the molecular formula C19H12BrFN4 and a molecular weight of 395.24 g/mol. Its IUPAC name is 15-bromo-9-(4-fluorophenyl)-2,3,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,7,9,14,16-heptaene.

Molecular Properties

Compound Name15-bromo-9-(4-fluorophenyl)-2,3,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,7,9,14,16-heptaene
PubChem CID129314287
Molecular FormulaC19H12BrFN4
Molecular Weight395.24 g/mol
Exact Mass394.02
IUPAC Name15-bromo-9-(4-fluorophenyl)-2,3,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,7,9,14,16-heptaene
SMILESFc1ccc(-c2cc3n(c2)Cc2cc(Br)ccc2-n2ncnc2-3)cc1
InChIInChI=1S/C19H12BrFN4/c20-15-3-6-17-14(7-15)10-24-9-13(12-1-4-16(21)5-2-12)8-18(24)19-22-11-23-25(17)19/h1-9,11H,10H2
InChIKeyFPAMGMNAOUWHIX-UHFFFAOYSA-N
XLogP4.67
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 15-bromo-9-(4-fluorophenyl)-2,3,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,7,9,14,16-heptaene with MolForge

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Related Compounds

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15-Bromo-5-chloro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
CID 11522889
15-Fluoro-5-(2-phenylethynyl)-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
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9H-benzo[f]imidazo[1,5-a][1,2,4]triazolo[1,5-d][1,4]diazepine
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15-Bromo-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
CID 46882232
15-Bromo-5,10-dimethyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
CID 46882397
15-Bromo-10-tert-butyl-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
CID 46882398
15-Bromo-10-(methoxymethyl)-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
CID 46882399
15-Bromo-10-(cyclopropylmethyl)-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
CID 46882400

Frequently Asked Questions

What is the IUPAC name of 15-bromo-9-(4-fluorophenyl)-2,3,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,7,9,14,16-heptaene?
The IUPAC name of 15-bromo-9-(4-fluorophenyl)-2,3,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,7,9,14,16-heptaene (CID 129314287) is 15-bromo-9-(4-fluorophenyl)-2,3,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,7,9,14,16-heptaene.
What is the SMILES notation for 15-bromo-9-(4-fluorophenyl)-2,3,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,7,9,14,16-heptaene?
The canonical SMILES for 15-bromo-9-(4-fluorophenyl)-2,3,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,7,9,14,16-heptaene is Fc1ccc(-c2cc3n(c2)Cc2cc(Br)ccc2-n2ncnc2-3)cc1.
What is the InChIKey of 15-bromo-9-(4-fluorophenyl)-2,3,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,7,9,14,16-heptaene?
The InChIKey is FPAMGMNAOUWHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrFN4/c20-15-3-6-17-14(7-15)10-24-9-13(12-1-4-16(21)5-2-12)8-18(24)19-22-11-23-25(17)19/h1-9,11H,10H2.
What are the key properties of 15-bromo-9-(4-fluorophenyl)-2,3,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,7,9,14,16-heptaene?
15-bromo-9-(4-fluorophenyl)-2,3,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,7,9,14,16-heptaene has a molecular weight of 395.24 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-bromo-9-(4-fluorophenyl)-2,3,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,7,9,14,16-heptaene is sourced from PubChem (CID 129314287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).