15-fluoro-4-methyl-6-(1H-pyridin-4-ylidene)-4,8,9-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,7,9,11,13,15-heptaene

C20H15FN4 — CID 118274437

IUPAC15-fluoro-4-methyl-6-(1H-pyridin-4-ylidene)-4,8,9-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,7,9,11,13,15-heptaene
SMILESCN1C=c2c(nnc3ccc4cc(F)cc2c4-3)C(=C2C=CNC=C2)C1
InChIInChI=1S/C20H15FN4/c1-25-10-16(12-4-6-22-7-5-12)20-17(11-25)15-9-14(21)8-13-2-3-18(19(13)15)23-24-20/h2-9,11,22H,10H2,1H3
InChIKeySXNPMRPCEGJYNN-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.66
Rot. Bonds

About 15-fluoro-4-methyl-6-(1H-pyridin-4-ylidene)-4,8,9-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,7,9,11,13,15-heptaene

15-fluoro-4-methyl-6-(1H-pyridin-4-ylidene)-4,8,9-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,7,9,11,13,15-heptaene (PubChem CID 118274437) has the molecular formula C20H15FN4 and a molecular weight of 330.37 g/mol. Its IUPAC name is 15-fluoro-4-methyl-6-(1H-pyridin-4-ylidene)-4,8,9-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,7,9,11,13,15-heptaene.

Molecular Properties

Compound Name15-fluoro-4-methyl-6-(1H-pyridin-4-ylidene)-4,8,9-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,7,9,11,13,15-heptaene
PubChem CID118274437
Molecular FormulaC20H15FN4
Molecular Weight330.37 g/mol
Exact Mass330.13
IUPAC Name15-fluoro-4-methyl-6-(1H-pyridin-4-ylidene)-4,8,9-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,7,9,11,13,15-heptaene
SMILESCN1C=c2c(nnc3ccc4cc(F)cc2c4-3)C(=C2C=CNC=C2)C1
InChIInChI=1S/C20H15FN4/c1-25-10-16(12-4-6-22-7-5-12)20-17(11-25)15-9-14(21)8-13-2-3-18(19(13)15)23-24-20/h2-9,11,22H,10H2,1H3
InChIKeySXNPMRPCEGJYNN-UHFFFAOYSA-N
XLogP2.66
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 15-fluoro-4-methyl-6-(1H-pyridin-4-ylidene)-4,8,9-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,7,9,11,13,15-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-fluoro-4-methyl-6-(1H-pyridin-4-ylidene)-4,8,9-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,7,9,11,13,15-heptaene?
The IUPAC name of 15-fluoro-4-methyl-6-(1H-pyridin-4-ylidene)-4,8,9-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,7,9,11,13,15-heptaene (CID 118274437) is 15-fluoro-4-methyl-6-(1H-pyridin-4-ylidene)-4,8,9-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,7,9,11,13,15-heptaene.
What is the SMILES notation for 15-fluoro-4-methyl-6-(1H-pyridin-4-ylidene)-4,8,9-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,7,9,11,13,15-heptaene?
The canonical SMILES for 15-fluoro-4-methyl-6-(1H-pyridin-4-ylidene)-4,8,9-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,7,9,11,13,15-heptaene is CN1C=c2c(nnc3ccc4cc(F)cc2c4-3)C(=C2C=CNC=C2)C1.
What is the InChIKey of 15-fluoro-4-methyl-6-(1H-pyridin-4-ylidene)-4,8,9-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,7,9,11,13,15-heptaene?
The InChIKey is SXNPMRPCEGJYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4/c1-25-10-16(12-4-6-22-7-5-12)20-17(11-25)15-9-14(21)8-13-2-3-18(19(13)15)23-24-20/h2-9,11,22H,10H2,1H3.
What are the key properties of 15-fluoro-4-methyl-6-(1H-pyridin-4-ylidene)-4,8,9-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,7,9,11,13,15-heptaene?
15-fluoro-4-methyl-6-(1H-pyridin-4-ylidene)-4,8,9-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,7,9,11,13,15-heptaene has a molecular weight of 330.37 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-fluoro-4-methyl-6-(1H-pyridin-4-ylidene)-4,8,9-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,7,9,11,13,15-heptaene is sourced from PubChem (CID 118274437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).