5-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

C19H17FN6S — CID 91799480

IUPAC5-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCc1nc2c(s1)CN(c1ncnn3c(C)nc(-c4ccccc4F)c13)CC2
InChIInChI=1S/C19H17FN6S/c1-11-23-17(13-5-3-4-6-14(13)20)18-19(21-10-22-26(11)18)25-8-7-15-16(9-25)27-12(2)24-15/h3-6,10H,7-9H2,1-2H3
InChIKeyIFYNHWHPNSEXBN-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.57
Rot. Bonds2

About 5-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

5-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 91799480) has the molecular formula C19H17FN6S and a molecular weight of 380.45 g/mol. Its IUPAC name is 5-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name5-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
PubChem CID91799480
Molecular FormulaC19H17FN6S
Molecular Weight380.45 g/mol
Exact Mass380.12
IUPAC Name5-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCc1nc2c(s1)CN(c1ncnn3c(C)nc(-c4ccccc4F)c13)CC2
InChIInChI=1S/C19H17FN6S/c1-11-23-17(13-5-3-4-6-14(13)20)18-19(21-10-22-26(11)18)25-8-7-15-16(9-25)27-12(2)24-15/h3-6,10H,7-9H2,1-2H3
InChIKeyIFYNHWHPNSEXBN-UHFFFAOYSA-N
XLogP3.57
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 5-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (CID 91799480) is 5-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 5-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 5-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is Cc1nc2c(s1)CN(c1ncnn3c(C)nc(-c4ccccc4F)c13)CC2.
What is the InChIKey of 5-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is IFYNHWHPNSEXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6S/c1-11-23-17(13-5-3-4-6-14(13)20)18-19(21-10-22-26(11)18)25-8-7-15-16(9-25)27-12(2)24-15/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 5-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
5-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 380.45 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 91799480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).