(11R)-5-benzyl-4,8-dimethyl-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one

C19H23N5O — CID 10640686

IUPAC(11R)-5-benzyl-4,8-dimethyl-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one
SMILESCC(C)[C@@H]1CN2C(=N1)N(C)C(=O)c1c2nn(C)c1Cc1ccccc1
InChIInChI=1S/C19H23N5O/c1-12(2)14-11-24-17-16(18(25)22(3)19(24)20-14)15(23(4)21-17)10-13-8-6-5-7-9-13/h5-9,12,14H,10-11H2,1-4H3/t14-/m0/s1
InChIKeyAERCCFISDKLAIV-AWEZNQCLSA-N
MW337.43 g/mol
LogP2.30
Rot. Bonds3

About (11R)-5-benzyl-4,8-dimethyl-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one

(11R)-5-benzyl-4,8-dimethyl-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one (PubChem CID 10640686) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is (11R)-5-benzyl-4,8-dimethyl-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one.

Molecular Properties

Compound Name(11R)-5-benzyl-4,8-dimethyl-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one
PubChem CID10640686
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name(11R)-5-benzyl-4,8-dimethyl-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one
SMILESCC(C)[C@@H]1CN2C(=N1)N(C)C(=O)c1c2nn(C)c1Cc1ccccc1
InChIInChI=1S/C19H23N5O/c1-12(2)14-11-24-17-16(18(25)22(3)19(24)20-14)15(23(4)21-17)10-13-8-6-5-7-9-13/h5-9,12,14H,10-11H2,1-4H3/t14-/m0/s1
InChIKeyAERCCFISDKLAIV-AWEZNQCLSA-N
XLogP2.30
TPSA53.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (11R)-5-benzyl-4,8-dimethyl-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one with MolForge

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Related Compounds

3-(2,2,2-trifluoroethyl)-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
CID 135567410
(11R,15S)-5-benzyl-4,8-dimethyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one
CID 10616786
5-Methyl-3-phenyl-4,5,7-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3-trien-8-one
CID 135875697
(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
5-Benzyl-4,8,11,11-tetramethyl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one
CID 9883678
5-Benzyl-4,8-dimethylspiro[1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-triene-11,1'-cyclopentane]-7-one
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(11R)-5-anilino-8-methyl-4-[(4-phenylphenyl)methyl]-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one
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1-(4-ethylcyclohexyl)-3-methyl-5-methylene-4,5-dihydro-3H-cyclopenta[a]naphthalene
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US12409171, Name RG-0008861
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Frequently Asked Questions

What is the IUPAC name of (11R)-5-benzyl-4,8-dimethyl-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one?
The IUPAC name of (11R)-5-benzyl-4,8-dimethyl-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one (CID 10640686) is (11R)-5-benzyl-4,8-dimethyl-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one.
What is the SMILES notation for (11R)-5-benzyl-4,8-dimethyl-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one?
The canonical SMILES for (11R)-5-benzyl-4,8-dimethyl-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one is CC(C)[C@@H]1CN2C(=N1)N(C)C(=O)c1c2nn(C)c1Cc1ccccc1.
What is the InChIKey of (11R)-5-benzyl-4,8-dimethyl-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one?
The InChIKey is AERCCFISDKLAIV-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N5O/c1-12(2)14-11-24-17-16(18(25)22(3)19(24)20-14)15(23(4)21-17)10-13-8-6-5-7-9-13/h5-9,12,14H,10-11H2,1-4H3/t14-/m0/s1.
What are the key properties of (11R)-5-benzyl-4,8-dimethyl-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one?
(11R)-5-benzyl-4,8-dimethyl-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one has a molecular weight of 337.43 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-5-benzyl-4,8-dimethyl-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one is sourced from PubChem (CID 10640686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).