3-[5-(2,3-dimethylphenyl)pyrazin-2-yl]-12-methoxy-8-methyl-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene

C23H23N7O — CID 69370395

IUPAC3-[5-(2,3-dimethylphenyl)pyrazin-2-yl]-12-methoxy-8-methyl-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene
SMILESCOc1ccc2c(n1)CN(C)Cc1nnc(-c3cnc(-c4cccc(C)c4C)cn3)n1-2
InChIInChI=1S/C23H23N7O/c1-14-6-5-7-16(15(14)2)17-10-25-18(11-24-17)23-28-27-21-13-29(3)12-19-20(30(21)23)8-9-22(26-19)31-4/h5-11H,12-13H2,1-4H3
InChIKeyPWFNRPICYFXIBS-UHFFFAOYSA-N
MW413.49 g/mol
LogP3.36
Rot. Bonds3

About 3-[5-(2,3-dimethylphenyl)pyrazin-2-yl]-12-methoxy-8-methyl-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene

3-[5-(2,3-dimethylphenyl)pyrazin-2-yl]-12-methoxy-8-methyl-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene (PubChem CID 69370395) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is 3-[5-(2,3-dimethylphenyl)pyrazin-2-yl]-12-methoxy-8-methyl-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene.

Molecular Properties

Compound Name3-[5-(2,3-dimethylphenyl)pyrazin-2-yl]-12-methoxy-8-methyl-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene
PubChem CID69370395
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC Name3-[5-(2,3-dimethylphenyl)pyrazin-2-yl]-12-methoxy-8-methyl-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene
SMILESCOc1ccc2c(n1)CN(C)Cc1nnc(-c3cnc(-c4cccc(C)c4C)cn3)n1-2
InChIInChI=1S/C23H23N7O/c1-14-6-5-7-16(15(14)2)17-10-25-18(11-24-17)23-28-27-21-13-29(3)12-19-20(30(21)23)8-9-22(26-19)31-4/h5-11H,12-13H2,1-4H3
InChIKeyPWFNRPICYFXIBS-UHFFFAOYSA-N
XLogP3.36
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[5-(2,3-dimethylphenyl)pyrazin-2-yl]-12-methoxy-8-methyl-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene with MolForge

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Related Compounds

3-[5-(2-fluoro-3-methoxyphenyl)pyrazin-2-yl]-12-methoxy-8-methyl-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene
CID 69368406
8-benzyl-12-methoxy-3-[4-(2-methoxyphenyl)phenyl]-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene
CID 53355812
2-(2-chloro-3-fluorophenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
CID 11848692
6-(2,3-dimethylphenyl)-3-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyrazine
CID 155569574
ethane;2-methoxy-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine
CID 145047554
ethane;2-methoxy-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine
CID 145047599
5-(2,3-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)-N-propan-2-ylpyrazine-2-carboxamide
CID 46830095
2-(3,5-difluorophenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine;2-(2,3-dimethylphenyl)-5-[5-(2-methoxyethoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyridine
CID 69248985
2-(5-isocyano-2-methylphenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
CID 58997481
8-benzyl-3-(4-bromophenyl)-12-methoxy-2,4,5,11-tetraza-8-azoniatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene
CID 143152154
5-(2,3-dimethylphenyl)-3-methylimidazol-4-amine
CID 62017531
2-(2,3-dimethylphenyl)-5-ethynylpyridine
CID 175646937

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,3-dimethylphenyl)pyrazin-2-yl]-12-methoxy-8-methyl-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene?
The IUPAC name of 3-[5-(2,3-dimethylphenyl)pyrazin-2-yl]-12-methoxy-8-methyl-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene (CID 69370395) is 3-[5-(2,3-dimethylphenyl)pyrazin-2-yl]-12-methoxy-8-methyl-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene.
What is the SMILES notation for 3-[5-(2,3-dimethylphenyl)pyrazin-2-yl]-12-methoxy-8-methyl-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene?
The canonical SMILES for 3-[5-(2,3-dimethylphenyl)pyrazin-2-yl]-12-methoxy-8-methyl-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene is COc1ccc2c(n1)CN(C)Cc1nnc(-c3cnc(-c4cccc(C)c4C)cn3)n1-2.
What is the InChIKey of 3-[5-(2,3-dimethylphenyl)pyrazin-2-yl]-12-methoxy-8-methyl-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene?
The InChIKey is PWFNRPICYFXIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c1-14-6-5-7-16(15(14)2)17-10-25-18(11-24-17)23-28-27-21-13-29(3)12-19-20(30(21)23)8-9-22(26-19)31-4/h5-11H,12-13H2,1-4H3.
What are the key properties of 3-[5-(2,3-dimethylphenyl)pyrazin-2-yl]-12-methoxy-8-methyl-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene?
3-[5-(2,3-dimethylphenyl)pyrazin-2-yl]-12-methoxy-8-methyl-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene has a molecular weight of 413.49 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,3-dimethylphenyl)pyrazin-2-yl]-12-methoxy-8-methyl-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene is sourced from PubChem (CID 69370395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).