11-(1,3-dimethylpyrazol-4-yl)-3-(4-methoxyphenyl)-4-(3-methyl-1,2-oxazole-4-carbonyl)-1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-dien-8-one

C26H26N6O4 — CID 58406348

IUPAC11-(1,3-dimethylpyrazol-4-yl)-3-(4-methoxyphenyl)-4-(3-methyl-1,2-oxazole-4-carbonyl)-1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-dien-8-one
SMILESCOc1ccc(C23Cn4cc(-c5cn(C)nc5C)cc4C(=O)N2CCN3C(=O)c2conc2C)cc1
InChIInChI=1S/C26H26N6O4/c1-16-21(13-29(3)27-16)18-11-23-25(34)32-10-9-31(24(33)22-14-36-28-17(22)2)26(32,15-30(23)12-18)19-5-7-20(35-4)8-6-19/h5-8,11-14H,9-10,15H2,1-4H3
InChIKeyRKJSJIWJBLCGDI-UHFFFAOYSA-N
MW486.53 g/mol
LogP2.97
Rot. Bonds4

About 11-(1,3-dimethylpyrazol-4-yl)-3-(4-methoxyphenyl)-4-(3-methyl-1,2-oxazole-4-carbonyl)-1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-dien-8-one

11-(1,3-dimethylpyrazol-4-yl)-3-(4-methoxyphenyl)-4-(3-methyl-1,2-oxazole-4-carbonyl)-1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-dien-8-one (PubChem CID 58406348) has the molecular formula C26H26N6O4 and a molecular weight of 486.53 g/mol. Its IUPAC name is 11-(1,3-dimethylpyrazol-4-yl)-3-(4-methoxyphenyl)-4-(3-methyl-1,2-oxazole-4-carbonyl)-1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-dien-8-one.

Molecular Properties

Compound Name11-(1,3-dimethylpyrazol-4-yl)-3-(4-methoxyphenyl)-4-(3-methyl-1,2-oxazole-4-carbonyl)-1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-dien-8-one
PubChem CID58406348
Molecular FormulaC26H26N6O4
Molecular Weight486.53 g/mol
Exact Mass486.20
IUPAC Name11-(1,3-dimethylpyrazol-4-yl)-3-(4-methoxyphenyl)-4-(3-methyl-1,2-oxazole-4-carbonyl)-1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-dien-8-one
SMILESCOc1ccc(C23Cn4cc(-c5cn(C)nc5C)cc4C(=O)N2CCN3C(=O)c2conc2C)cc1
InChIInChI=1S/C26H26N6O4/c1-16-21(13-29(3)27-16)18-11-23-25(34)32-10-9-31(24(33)22-14-36-28-17(22)2)26(32,15-30(23)12-18)19-5-7-20(35-4)8-6-19/h5-8,11-14H,9-10,15H2,1-4H3
InChIKeyRKJSJIWJBLCGDI-UHFFFAOYSA-N
XLogP2.97
TPSA98.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 11-(1,3-dimethylpyrazol-4-yl)-3-(4-methoxyphenyl)-4-(3-methyl-1,2-oxazole-4-carbonyl)-1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-dien-8-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 11-(1,3-dimethylpyrazol-4-yl)-3-(4-methoxyphenyl)-4-(3-methyl-1,2-oxazole-4-carbonyl)-1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-dien-8-one?
The IUPAC name of 11-(1,3-dimethylpyrazol-4-yl)-3-(4-methoxyphenyl)-4-(3-methyl-1,2-oxazole-4-carbonyl)-1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-dien-8-one (CID 58406348) is 11-(1,3-dimethylpyrazol-4-yl)-3-(4-methoxyphenyl)-4-(3-methyl-1,2-oxazole-4-carbonyl)-1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-dien-8-one.
What is the SMILES notation for 11-(1,3-dimethylpyrazol-4-yl)-3-(4-methoxyphenyl)-4-(3-methyl-1,2-oxazole-4-carbonyl)-1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-dien-8-one?
The canonical SMILES for 11-(1,3-dimethylpyrazol-4-yl)-3-(4-methoxyphenyl)-4-(3-methyl-1,2-oxazole-4-carbonyl)-1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-dien-8-one is COc1ccc(C23Cn4cc(-c5cn(C)nc5C)cc4C(=O)N2CCN3C(=O)c2conc2C)cc1.
What is the InChIKey of 11-(1,3-dimethylpyrazol-4-yl)-3-(4-methoxyphenyl)-4-(3-methyl-1,2-oxazole-4-carbonyl)-1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-dien-8-one?
The InChIKey is RKJSJIWJBLCGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O4/c1-16-21(13-29(3)27-16)18-11-23-25(34)32-10-9-31(24(33)22-14-36-28-17(22)2)26(32,15-30(23)12-18)19-5-7-20(35-4)8-6-19/h5-8,11-14H,9-10,15H2,1-4H3.
What are the key properties of 11-(1,3-dimethylpyrazol-4-yl)-3-(4-methoxyphenyl)-4-(3-methyl-1,2-oxazole-4-carbonyl)-1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-dien-8-one?
11-(1,3-dimethylpyrazol-4-yl)-3-(4-methoxyphenyl)-4-(3-methyl-1,2-oxazole-4-carbonyl)-1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-dien-8-one has a molecular weight of 486.53 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(1,3-dimethylpyrazol-4-yl)-3-(4-methoxyphenyl)-4-(3-methyl-1,2-oxazole-4-carbonyl)-1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-dien-8-one is sourced from PubChem (CID 58406348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).