(11R,15S)-4-benzyl-8-methyl-5-phenyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one

C24H23N5O — CID 10715826

IUPAC(11R,15S)-4-benzyl-8-methyl-5-phenyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one
SMILESCN1C(=O)c2c(nn(Cc3ccccc3)c2-c2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12
InChIInChI=1S/C24H23N5O/c1-27-23(30)20-21(17-11-6-3-7-12-17)28(15-16-9-4-2-5-10-16)26-22(20)29-19-14-8-13-18(19)25-24(27)29/h2-7,9-12,18-19H,8,13-15H2,1H3/t18-,19+/m1/s1
InChIKeyLABGENIBVXEMHK-MOPGFXCFSA-N
MW397.48 g/mol
LogP3.78
Rot. Bonds3

About (11R,15S)-4-benzyl-8-methyl-5-phenyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one

(11R,15S)-4-benzyl-8-methyl-5-phenyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one (PubChem CID 10715826) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is (11R,15S)-4-benzyl-8-methyl-5-phenyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one.

Molecular Properties

Compound Name(11R,15S)-4-benzyl-8-methyl-5-phenyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one
PubChem CID10715826
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name(11R,15S)-4-benzyl-8-methyl-5-phenyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one
SMILESCN1C(=O)c2c(nn(Cc3ccccc3)c2-c2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12
InChIInChI=1S/C24H23N5O/c1-27-23(30)20-21(17-11-6-3-7-12-17)28(15-16-9-4-2-5-10-16)26-22(20)29-19-14-8-13-18(19)25-24(27)29/h2-7,9-12,18-19H,8,13-15H2,1H3/t18-,19+/m1/s1
InChIKeyLABGENIBVXEMHK-MOPGFXCFSA-N
XLogP3.78
TPSA53.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (11R,15S)-4-benzyl-8-methyl-5-phenyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (11R,15S)-4-benzyl-8-methyl-5-phenyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one?
The IUPAC name of (11R,15S)-4-benzyl-8-methyl-5-phenyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one (CID 10715826) is (11R,15S)-4-benzyl-8-methyl-5-phenyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one.
What is the SMILES notation for (11R,15S)-4-benzyl-8-methyl-5-phenyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one?
The canonical SMILES for (11R,15S)-4-benzyl-8-methyl-5-phenyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one is CN1C(=O)c2c(nn(Cc3ccccc3)c2-c2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12.
What is the InChIKey of (11R,15S)-4-benzyl-8-methyl-5-phenyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one?
The InChIKey is LABGENIBVXEMHK-MOPGFXCFSA-N. The full InChI is InChI=1S/C24H23N5O/c1-27-23(30)20-21(17-11-6-3-7-12-17)28(15-16-9-4-2-5-10-16)26-22(20)29-19-14-8-13-18(19)25-24(27)29/h2-7,9-12,18-19H,8,13-15H2,1H3/t18-,19+/m1/s1.
What are the key properties of (11R,15S)-4-benzyl-8-methyl-5-phenyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one?
(11R,15S)-4-benzyl-8-methyl-5-phenyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one has a molecular weight of 397.48 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (11R,15S)-4-benzyl-8-methyl-5-phenyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one is sourced from PubChem (CID 10715826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).