10-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

C24H23N5O2 — CID 20898272

IUPAC10-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCOc1ccc(Cc2nc3c4c(C)c(C)n(-c5cccc(OC)c5)c4ncn3n2)cc1
InChIInChI=1S/C24H23N5O2/c1-15-16(2)29(18-6-5-7-20(13-18)31-4)23-22(15)24-26-21(27-28(24)14-25-23)12-17-8-10-19(30-3)11-9-17/h5-11,13-14H,12H2,1-4H3
InChIKeyJALPMCVYGHQWEF-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.29
Rot. Bonds5

About 10-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

10-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 20898272) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 10-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name10-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID20898272
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name10-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCOc1ccc(Cc2nc3c4c(C)c(C)n(-c5cccc(OC)c5)c4ncn3n2)cc1
InChIInChI=1S/C24H23N5O2/c1-15-16(2)29(18-6-5-7-20(13-18)31-4)23-22(15)24-26-21(27-28(24)14-25-23)12-17-8-10-19(30-3)11-9-17/h5-11,13-14H,12H2,1-4H3
InChIKeyJALPMCVYGHQWEF-UHFFFAOYSA-N
XLogP4.29
TPSA66.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 10-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene with MolForge

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Related Compounds

10-(3-methoxyphenyl)-11,12-dimethyl-4-propyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 20898259
2-[1-[10-(3-methoxyphenyl)-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]propyl]isoindole-1,3-dione
CID 50750821
10-(3-bromophenyl)-4-[(4-methoxyphenyl)methyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 23605281
10-cycloheptyl-4-[(3,4-dimethoxyphenyl)methyl]-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 20898531
2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazoline
CID 3163629
(Z)-1-(3,4-dimethoxyphenyl)-N-[(11,12-dimethyl-10-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methoxy]methanimine
CID 41008861
2-[(4-methoxyphenyl)methyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566284
4-benzyl-10-butyl-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 20898326
8-bromo-2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117137491
8-bromo-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117137276
10-(3,4-dimethylphenyl)-11,12-dimethyl-4-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 20898451
7-(4-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4962416

Frequently Asked Questions

What is the IUPAC name of 10-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 10-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 20898272) is 10-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 10-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 10-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is COc1ccc(Cc2nc3c4c(C)c(C)n(-c5cccc(OC)c5)c4ncn3n2)cc1.
What is the InChIKey of 10-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is JALPMCVYGHQWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-15-16(2)29(18-6-5-7-20(13-18)31-4)23-22(15)24-26-21(27-28(24)14-25-23)12-17-8-10-19(30-3)11-9-17/h5-11,13-14H,12H2,1-4H3.
What are the key properties of 10-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
10-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 413.48 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 20898272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).