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

C22H20FN7O2 — CID 69368406

IUPAC3-[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
SMILESCOc1ccc2c(n1)CN(C)Cc1nnc(-c3cnc(-c4cccc(OC)c4F)cn3)n1-2
InChIInChI=1S/C22H20FN7O2/c1-29-11-16-17(7-8-20(26-16)32-3)30-19(12-29)27-28-22(30)15-10-24-14(9-25-15)13-5-4-6-18(31-2)21(13)23/h4-10H,11-12H2,1-3H3
InChIKeyDUDMBSDUDDSFHP-UHFFFAOYSA-N
MW433.45 g/mol
LogP2.89
Rot. Bonds4

About 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

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 (PubChem CID 69368406) has the molecular formula C22H20FN7O2 and a molecular weight of 433.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID69368406
Molecular FormulaC22H20FN7O2
Molecular Weight433.45 g/mol
Exact Mass433.17
IUPAC Name3-[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
SMILESCOc1ccc2c(n1)CN(C)Cc1nnc(-c3cnc(-c4cccc(OC)c4F)cn3)n1-2
InChIInChI=1S/C22H20FN7O2/c1-29-11-16-17(7-8-20(26-16)32-3)30-19(12-29)27-28-22(30)15-10-24-14(9-25-15)13-5-4-6-18(31-2)21(13)23/h4-10H,11-12H2,1-3H3
InChIKeyDUDMBSDUDDSFHP-UHFFFAOYSA-N
XLogP2.89
TPSA91.08 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.45
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
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
5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine
CID 50961650
2-(2-chloro-3-fluorophenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
CID 11848692
N-ethyl-5-(2-fluoro-3-methoxyphenyl)pyrazin-2-amine
CID 112754900
5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine-4-carbaldehyde
CID 172868912
4-(2-fluoro-3-methoxyphenyl)pyrimidin-2-amine
CID 82812333
3-(2-chlorophenyl)-6-(2-fluoro-3-methoxyphenyl)imidazo[1,2-a]pyrazine
CID 155549099
4-chloro-6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidine
CID 82812450
6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 82811355
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc2c(n1)CN(C)Cc1nnc(-c3cnc(-c4cccc(OC)c4F)cn3)n1-2.
What is the InChIKey of 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?
The InChIKey is DUDMBSDUDDSFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7O2/c1-29-11-16-17(7-8-20(26-16)32-3)30-19(12-29)27-28-22(30)15-10-24-14(9-25-15)13-5-4-6-18(31-2)21(13)23/h4-10H,11-12H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 433.45 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 69368406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).