2-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-8-methoxy-3,4-dihydro-1H-2,7-naphthyridine

C21H19FN6O — CID 91799434

IUPAC2-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-8-methoxy-3,4-dihydro-1H-2,7-naphthyridine
SMILESCOc1nccc2c1CN(c1ncnn3c(C)nc(-c4ccccc4F)c13)CC2
InChIInChI=1S/C21H19FN6O/c1-13-26-18(15-5-3-4-6-17(15)22)19-20(24-12-25-28(13)19)27-10-8-14-7-9-23-21(29-2)16(14)11-27/h3-7,9,12H,8,10-11H2,1-2H3
InChIKeyCBOPHBIFARVRRZ-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.21
Rot. Bonds3

About 2-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-8-methoxy-3,4-dihydro-1H-2,7-naphthyridine

2-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-8-methoxy-3,4-dihydro-1H-2,7-naphthyridine (PubChem CID 91799434) has the molecular formula C21H19FN6O and a molecular weight of 390.42 g/mol. Its IUPAC name is 2-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-8-methoxy-3,4-dihydro-1H-2,7-naphthyridine.

Molecular Properties

Compound Name2-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-8-methoxy-3,4-dihydro-1H-2,7-naphthyridine
PubChem CID91799434
Molecular FormulaC21H19FN6O
Molecular Weight390.42 g/mol
Exact Mass390.16
IUPAC Name2-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-8-methoxy-3,4-dihydro-1H-2,7-naphthyridine
SMILESCOc1nccc2c1CN(c1ncnn3c(C)nc(-c4ccccc4F)c13)CC2
InChIInChI=1S/C21H19FN6O/c1-13-26-18(15-5-3-4-6-17(15)22)19-20(24-12-25-28(13)19)27-10-8-14-7-9-23-21(29-2)16(14)11-27/h3-7,9,12H,8,10-11H2,1-2H3
InChIKeyCBOPHBIFARVRRZ-UHFFFAOYSA-N
XLogP3.21
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-8-methoxy-3,4-dihydro-1H-2,7-naphthyridine?
The IUPAC name of 2-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-8-methoxy-3,4-dihydro-1H-2,7-naphthyridine (CID 91799434) is 2-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-8-methoxy-3,4-dihydro-1H-2,7-naphthyridine.
What is the SMILES notation for 2-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-8-methoxy-3,4-dihydro-1H-2,7-naphthyridine?
The canonical SMILES for 2-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-8-methoxy-3,4-dihydro-1H-2,7-naphthyridine is COc1nccc2c1CN(c1ncnn3c(C)nc(-c4ccccc4F)c13)CC2.
What is the InChIKey of 2-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-8-methoxy-3,4-dihydro-1H-2,7-naphthyridine?
The InChIKey is CBOPHBIFARVRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O/c1-13-26-18(15-5-3-4-6-17(15)22)19-20(24-12-25-28(13)19)27-10-8-14-7-9-23-21(29-2)16(14)11-27/h3-7,9,12H,8,10-11H2,1-2H3.
What are the key properties of 2-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-8-methoxy-3,4-dihydro-1H-2,7-naphthyridine?
2-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-8-methoxy-3,4-dihydro-1H-2,7-naphthyridine has a molecular weight of 390.42 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-8-methoxy-3,4-dihydro-1H-2,7-naphthyridine is sourced from PubChem (CID 91799434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).