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

C21H19FN6 — CID 91799502

IUPAC6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-7,8-dihydro-5H-1,6-naphthyridine
SMILESCc1ccc2c(n1)CCN(c1ncnn3c(C)nc(-c4ccccc4F)c13)C2
InChIInChI=1S/C21H19FN6/c1-13-7-8-15-11-27(10-9-18(15)25-13)21-20-19(16-5-3-4-6-17(16)22)26-14(2)28(20)24-12-23-21/h3-8,12H,9-11H2,1-2H3
InChIKeyNRECROFMGVWREL-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.50
Rot. Bonds2

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

6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 91799502) has the molecular formula C21H19FN6 and a molecular weight of 374.42 g/mol. Its IUPAC name is 6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID91799502
Molecular FormulaC21H19FN6
Molecular Weight374.42 g/mol
Exact Mass374.17
IUPAC Name6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-7,8-dihydro-5H-1,6-naphthyridine
SMILESCc1ccc2c(n1)CCN(c1ncnn3c(C)nc(-c4ccccc4F)c13)C2
InChIInChI=1S/C21H19FN6/c1-13-7-8-15-11-27(10-9-18(15)25-13)21-20-19(16-5-3-4-6-17(16)22)26-14(2)28(20)24-12-23-21/h3-8,12H,9-11H2,1-2H3
InChIKeyNRECROFMGVWREL-UHFFFAOYSA-N
XLogP3.50
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-7,8-dihydro-5H-1,6-naphthyridine (CID 91799502) is 6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-7,8-dihydro-5H-1,6-naphthyridine is Cc1ccc2c(n1)CCN(c1ncnn3c(C)nc(-c4ccccc4F)c13)C2.
What is the InChIKey of 6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is NRECROFMGVWREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6/c1-13-7-8-15-11-27(10-9-18(15)25-13)21-20-19(16-5-3-4-6-17(16)22)26-14(2)28(20)24-12-23-21/h3-8,12H,9-11H2,1-2H3.
What are the key properties of 6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-7,8-dihydro-5H-1,6-naphthyridine?
6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 374.42 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 91799502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).