7-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine

C21H16F4N6 — CID 91799520

IUPAC7-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine
SMILESCc1nc(-c2ccccc2F)c2c(N3CCc4ccc(C(F)(F)F)nc4C3)ncnn12
InChIInChI=1S/C21H16F4N6/c1-12-28-18(14-4-2-3-5-15(14)22)19-20(26-11-27-31(12)19)30-9-8-13-6-7-17(21(23,24)25)29-16(13)10-30/h2-7,11H,8-10H2,1H3
InChIKeyGGOQKCIQOUZSDA-UHFFFAOYSA-N
MW428.39 g/mol
LogP4.22
Rot. Bonds2

About 7-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine

7-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine (PubChem CID 91799520) has the molecular formula C21H16F4N6 and a molecular weight of 428.39 g/mol. Its IUPAC name is 7-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine.

Molecular Properties

Compound Name7-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine
PubChem CID91799520
Molecular FormulaC21H16F4N6
Molecular Weight428.39 g/mol
Exact Mass428.14
IUPAC Name7-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine
SMILESCc1nc(-c2ccccc2F)c2c(N3CCc4ccc(C(F)(F)F)nc4C3)ncnn12
InChIInChI=1S/C21H16F4N6/c1-12-28-18(14-4-2-3-5-15(14)22)19-20(26-11-27-31(12)19)30-9-8-13-6-7-17(21(23,24)25)29-16(13)10-30/h2-7,11H,8-10H2,1H3
InChIKeyGGOQKCIQOUZSDA-UHFFFAOYSA-N
XLogP4.22
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.39
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine?
The IUPAC name of 7-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine (CID 91799520) is 7-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine.
What is the SMILES notation for 7-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine?
The canonical SMILES for 7-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine is Cc1nc(-c2ccccc2F)c2c(N3CCc4ccc(C(F)(F)F)nc4C3)ncnn12.
What is the InChIKey of 7-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine?
The InChIKey is GGOQKCIQOUZSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4N6/c1-12-28-18(14-4-2-3-5-15(14)22)19-20(26-11-27-31(12)19)30-9-8-13-6-7-17(21(23,24)25)29-16(13)10-30/h2-7,11H,8-10H2,1H3.
What are the key properties of 7-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine?
7-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine has a molecular weight of 428.39 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine is sourced from PubChem (CID 91799520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).