8-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-4,12-dimethyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene

C20H23FN4 — CID 118401258

IUPAC8-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-4,12-dimethyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
SMILESCc1ccc2c(n1)c1c(n2CCc2ccc(CF)nc2)CCN(C)C1
InChIInChI=1S/C20H23FN4/c1-14-3-6-19-20(23-14)17-13-24(2)9-8-18(17)25(19)10-7-15-4-5-16(11-21)22-12-15/h3-6,12H,7-11,13H2,1-2H3
InChIKeyGVOZINPOEFOQDO-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.44
Rot. Bonds4

About 8-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-4,12-dimethyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene

8-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-4,12-dimethyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene (PubChem CID 118401258) has the molecular formula C20H23FN4 and a molecular weight of 338.43 g/mol. Its IUPAC name is 8-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-4,12-dimethyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene.

Molecular Properties

Compound Name8-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-4,12-dimethyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
PubChem CID118401258
Molecular FormulaC20H23FN4
Molecular Weight338.43 g/mol
Exact Mass338.19
IUPAC Name8-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-4,12-dimethyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
SMILESCc1ccc2c(n1)c1c(n2CCc2ccc(CF)nc2)CCN(C)C1
InChIInChI=1S/C20H23FN4/c1-14-3-6-19-20(23-14)17-13-24(2)9-8-18(17)25(19)10-7-15-4-5-16(11-21)22-12-15/h3-6,12H,7-11,13H2,1-2H3
InChIKeyGVOZINPOEFOQDO-UHFFFAOYSA-N
XLogP3.44
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-4,12-dimethyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-4,12-dimethyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene?
The IUPAC name of 8-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-4,12-dimethyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene (CID 118401258) is 8-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-4,12-dimethyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene.
What is the SMILES notation for 8-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-4,12-dimethyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene?
The canonical SMILES for 8-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-4,12-dimethyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene is Cc1ccc2c(n1)c1c(n2CCc2ccc(CF)nc2)CCN(C)C1.
What is the InChIKey of 8-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-4,12-dimethyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene?
The InChIKey is GVOZINPOEFOQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4/c1-14-3-6-19-20(23-14)17-13-24(2)9-8-18(17)25(19)10-7-15-4-5-16(11-21)22-12-15/h3-6,12H,7-11,13H2,1-2H3.
What are the key properties of 8-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-4,12-dimethyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene?
8-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-4,12-dimethyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene has a molecular weight of 338.43 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-4,12-dimethyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene is sourced from PubChem (CID 118401258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).