2-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-3-methyl-3,4-dihydro-1H-isoquinoline

C22H20FN5 — CID 91799482

IUPAC2-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-3-methyl-3,4-dihydro-1H-isoquinoline
SMILESCc1nc(-c2ccccc2F)c2c(N3Cc4ccccc4CC3C)ncnn12
InChIInChI=1S/C22H20FN5/c1-14-11-16-7-3-4-8-17(16)12-27(14)22-21-20(18-9-5-6-10-19(18)23)26-15(2)28(21)25-13-24-22/h3-10,13-14H,11-12H2,1-2H3
InChIKeyBVZHUSQLXALJRA-UHFFFAOYSA-N
MW373.44 g/mol
LogP4.19
Rot. Bonds2

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

2-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-3-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 91799482) has the molecular formula C22H20FN5 and a molecular weight of 373.44 g/mol. Its IUPAC name is 2-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-3-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-3-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID91799482
Molecular FormulaC22H20FN5
Molecular Weight373.44 g/mol
Exact Mass373.17
IUPAC Name2-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-3-methyl-3,4-dihydro-1H-isoquinoline
SMILESCc1nc(-c2ccccc2F)c2c(N3Cc4ccccc4CC3C)ncnn12
InChIInChI=1S/C22H20FN5/c1-14-11-16-7-3-4-8-17(16)12-27(14)22-21-20(18-9-5-6-10-19(18)23)26-15(2)28(21)25-13-24-22/h3-10,13-14H,11-12H2,1-2H3
InChIKeyBVZHUSQLXALJRA-UHFFFAOYSA-N
XLogP4.19
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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]-3-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-3-methyl-3,4-dihydro-1H-isoquinoline (CID 91799482) is 2-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-3-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-3-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-3-methyl-3,4-dihydro-1H-isoquinoline is Cc1nc(-c2ccccc2F)c2c(N3Cc4ccccc4CC3C)ncnn12.
What is the InChIKey of 2-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-3-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is BVZHUSQLXALJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5/c1-14-11-16-7-3-4-8-17(16)12-27(14)22-21-20(18-9-5-6-10-19(18)23)26-15(2)28(21)25-13-24-22/h3-10,13-14H,11-12H2,1-2H3.
What are the key properties of 2-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-3-methyl-3,4-dihydro-1H-isoquinoline?
2-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-3-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 373.44 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 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]-3-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 91799482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).