5-[(4-methoxyphenyl)methyl]-6-methyl-12-(4-methylimidazol-1-yl)-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-2-one

C25H24N4O2 — CID 127028415

IUPAC5-[(4-methoxyphenyl)methyl]-6-methyl-12-(4-methylimidazol-1-yl)-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-2-one
SMILESCOc1ccc(Cc2nc3c(n2C)CCc2cc(-n4cnc(C)c4)ccc2C3=O)cc1
InChIInChI=1S/C25H24N4O2/c1-16-14-29(15-26-16)19-7-10-21-18(13-19)6-11-22-24(25(21)30)27-23(28(22)2)12-17-4-8-20(31-3)9-5-17/h4-5,7-10,13-15H,6,11-12H2,1-3H3
InChIKeyGGFWGRUHYCDYLI-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.84
Rot. Bonds4

About 5-[(4-methoxyphenyl)methyl]-6-methyl-12-(4-methylimidazol-1-yl)-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-2-one

5-[(4-methoxyphenyl)methyl]-6-methyl-12-(4-methylimidazol-1-yl)-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-2-one (PubChem CID 127028415) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methyl]-6-methyl-12-(4-methylimidazol-1-yl)-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-2-one.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methyl]-6-methyl-12-(4-methylimidazol-1-yl)-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-2-one
PubChem CID127028415
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name5-[(4-methoxyphenyl)methyl]-6-methyl-12-(4-methylimidazol-1-yl)-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-2-one
SMILESCOc1ccc(Cc2nc3c(n2C)CCc2cc(-n4cnc(C)c4)ccc2C3=O)cc1
InChIInChI=1S/C25H24N4O2/c1-16-14-29(15-26-16)19-7-10-21-18(13-19)6-11-22-24(25(21)30)27-23(28(22)2)12-17-4-8-20(31-3)9-5-17/h4-5,7-10,13-15H,6,11-12H2,1-3H3
InChIKeyGGFWGRUHYCDYLI-UHFFFAOYSA-N
XLogP3.84
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(4-methoxyphenyl)methyl]-6-methyl-12-(4-methylimidazol-1-yl)-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-2-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 5-[(4-methoxyphenyl)methyl]-6-methyl-12-(4-methylimidazol-1-yl)-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-2-one?
The IUPAC name of 5-[(4-methoxyphenyl)methyl]-6-methyl-12-(4-methylimidazol-1-yl)-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-2-one (CID 127028415) is 5-[(4-methoxyphenyl)methyl]-6-methyl-12-(4-methylimidazol-1-yl)-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-2-one.
What is the SMILES notation for 5-[(4-methoxyphenyl)methyl]-6-methyl-12-(4-methylimidazol-1-yl)-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-2-one?
The canonical SMILES for 5-[(4-methoxyphenyl)methyl]-6-methyl-12-(4-methylimidazol-1-yl)-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-2-one is COc1ccc(Cc2nc3c(n2C)CCc2cc(-n4cnc(C)c4)ccc2C3=O)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methyl]-6-methyl-12-(4-methylimidazol-1-yl)-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-2-one?
The InChIKey is GGFWGRUHYCDYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-16-14-29(15-26-16)19-7-10-21-18(13-19)6-11-22-24(25(21)30)27-23(28(22)2)12-17-4-8-20(31-3)9-5-17/h4-5,7-10,13-15H,6,11-12H2,1-3H3.
What are the key properties of 5-[(4-methoxyphenyl)methyl]-6-methyl-12-(4-methylimidazol-1-yl)-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-2-one?
5-[(4-methoxyphenyl)methyl]-6-methyl-12-(4-methylimidazol-1-yl)-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-2-one has a molecular weight of 412.49 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methyl]-6-methyl-12-(4-methylimidazol-1-yl)-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-2-one is sourced from PubChem (CID 127028415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).