4,8-dimethyl-11-(1H-pyrazol-5-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

C13H11N7O — CID 56920686

IUPAC4,8-dimethyl-11-(1H-pyrazol-5-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESCc1nc2nc(C)c3c(=O)n(-c4ccn[nH]4)ccc3n2n1
InChIInChI=1S/C13H11N7O/c1-7-11-9(20-13(15-7)16-8(2)18-20)4-6-19(12(11)21)10-3-5-14-17-10/h3-6H,1-2H3,(H,14,17)
InChIKeyFWKPVTRFPHVYCK-UHFFFAOYSA-N
MW281.28 g/mol
LogP0.77
Rot. Bonds1

About 4,8-dimethyl-11-(1H-pyrazol-5-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

4,8-dimethyl-11-(1H-pyrazol-5-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (PubChem CID 56920686) has the molecular formula C13H11N7O and a molecular weight of 281.28 g/mol. Its IUPAC name is 4,8-dimethyl-11-(1H-pyrazol-5-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.

Molecular Properties

Compound Name4,8-dimethyl-11-(1H-pyrazol-5-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
PubChem CID56920686
Molecular FormulaC13H11N7O
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name4,8-dimethyl-11-(1H-pyrazol-5-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESCc1nc2nc(C)c3c(=O)n(-c4ccn[nH]4)ccc3n2n1
InChIInChI=1S/C13H11N7O/c1-7-11-9(20-13(15-7)16-8(2)18-20)4-6-19(12(11)21)10-3-5-14-17-10/h3-6H,1-2H3,(H,14,17)
InChIKeyFWKPVTRFPHVYCK-UHFFFAOYSA-N
XLogP0.77
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4,8-dimethyl-11-(1H-pyrazol-5-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-11-(1H-pyrazol-5-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The IUPAC name of 4,8-dimethyl-11-(1H-pyrazol-5-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (CID 56920686) is 4,8-dimethyl-11-(1H-pyrazol-5-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.
What is the SMILES notation for 4,8-dimethyl-11-(1H-pyrazol-5-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The canonical SMILES for 4,8-dimethyl-11-(1H-pyrazol-5-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is Cc1nc2nc(C)c3c(=O)n(-c4ccn[nH]4)ccc3n2n1.
What is the InChIKey of 4,8-dimethyl-11-(1H-pyrazol-5-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The InChIKey is FWKPVTRFPHVYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N7O/c1-7-11-9(20-13(15-7)16-8(2)18-20)4-6-19(12(11)21)10-3-5-14-17-10/h3-6H,1-2H3,(H,14,17).
What are the key properties of 4,8-dimethyl-11-(1H-pyrazol-5-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
4,8-dimethyl-11-(1H-pyrazol-5-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one has a molecular weight of 281.28 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-11-(1H-pyrazol-5-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is sourced from PubChem (CID 56920686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).