11-fluoro-4,5,12,15-tetramethyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one

C17H22FN5O — CID 165158825

IUPAC11-fluoro-4,5,12,15-tetramethyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one
SMILESCc1cc2c3c(nc(=O)n2C)N2CC(C)N(C)CC2CNc3c1F
InChIInChI=1S/C17H22FN5O/c1-9-5-12-13-15(14(9)18)19-6-11-8-21(3)10(2)7-23(11)16(13)20-17(24)22(12)4/h5,10-11,19H,6-8H2,1-4H3
InChIKeyOFPPDMHXKGPXRT-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.32
Rot. Bonds

About 11-fluoro-4,5,12,15-tetramethyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one

11-fluoro-4,5,12,15-tetramethyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one (PubChem CID 165158825) has the molecular formula C17H22FN5O and a molecular weight of 331.40 g/mol. Its IUPAC name is 11-fluoro-4,5,12,15-tetramethyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one.

Molecular Properties

Compound Name11-fluoro-4,5,12,15-tetramethyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one
PubChem CID165158825
Molecular FormulaC17H22FN5O
Molecular Weight331.40 g/mol
Exact Mass331.18
IUPAC Name11-fluoro-4,5,12,15-tetramethyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one
SMILESCc1cc2c3c(nc(=O)n2C)N2CC(C)N(C)CC2CNc3c1F
InChIInChI=1S/C17H22FN5O/c1-9-5-12-13-15(14(9)18)19-6-11-8-21(3)10(2)7-23(11)16(13)20-17(24)22(12)4/h5,10-11,19H,6-8H2,1-4H3
InChIKeyOFPPDMHXKGPXRT-UHFFFAOYSA-N
XLogP1.32
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 11-fluoro-4,5,12,15-tetramethyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-fluoro-4,5,12,15-tetramethyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one?
The IUPAC name of 11-fluoro-4,5,12,15-tetramethyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one (CID 165158825) is 11-fluoro-4,5,12,15-tetramethyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one.
What is the SMILES notation for 11-fluoro-4,5,12,15-tetramethyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one?
The canonical SMILES for 11-fluoro-4,5,12,15-tetramethyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one is Cc1cc2c3c(nc(=O)n2C)N2CC(C)N(C)CC2CNc3c1F.
What is the InChIKey of 11-fluoro-4,5,12,15-tetramethyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one?
The InChIKey is OFPPDMHXKGPXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O/c1-9-5-12-13-15(14(9)18)19-6-11-8-21(3)10(2)7-23(11)16(13)20-17(24)22(12)4/h5,10-11,19H,6-8H2,1-4H3.
What are the key properties of 11-fluoro-4,5,12,15-tetramethyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one?
11-fluoro-4,5,12,15-tetramethyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one has a molecular weight of 331.40 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-fluoro-4,5,12,15-tetramethyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one is sourced from PubChem (CID 165158825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).