7-(4-fluorophenyl)-2-[4-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one

C23H22F4N6O — CID 78147114

IUPAC7-(4-fluorophenyl)-2-[4-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCC1CN(Cc2ccc(C(F)(F)F)nc2)CC1C1NC(=O)c2cnc(-c3ccc(F)cc3)n2N1
InChIInChI=1S/C23H22F4N6O/c1-13-10-32(11-14-2-7-19(28-8-14)23(25,26)27)12-17(13)20-30-22(34)18-9-29-21(33(18)31-20)15-3-5-16(24)6-4-15/h2-9,13,17,20,31H,10-12H2,1H3,(H,30,34)
InChIKeyXQXAMNZYYITLEJ-UHFFFAOYSA-N
MW474.46 g/mol
LogP3.48
Rot. Bonds4

About 7-(4-fluorophenyl)-2-[4-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one

7-(4-fluorophenyl)-2-[4-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one (PubChem CID 78147114) has the molecular formula C23H22F4N6O and a molecular weight of 474.46 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-2-[4-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name7-(4-fluorophenyl)-2-[4-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one
PubChem CID78147114
Molecular FormulaC23H22F4N6O
Molecular Weight474.46 g/mol
Exact Mass474.18
IUPAC Name7-(4-fluorophenyl)-2-[4-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCC1CN(Cc2ccc(C(F)(F)F)nc2)CC1C1NC(=O)c2cnc(-c3ccc(F)cc3)n2N1
InChIInChI=1S/C23H22F4N6O/c1-13-10-32(11-14-2-7-19(28-8-14)23(25,26)27)12-17(13)20-30-22(34)18-9-29-21(33(18)31-20)15-3-5-16(24)6-4-15/h2-9,13,17,20,31H,10-12H2,1H3,(H,30,34)
InChIKeyXQXAMNZYYITLEJ-UHFFFAOYSA-N
XLogP3.48
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.46
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-(4-fluorophenyl)-2-[4-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-2-[4-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one?
The IUPAC name of 7-(4-fluorophenyl)-2-[4-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one (CID 78147114) is 7-(4-fluorophenyl)-2-[4-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 7-(4-fluorophenyl)-2-[4-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 7-(4-fluorophenyl)-2-[4-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one is CC1CN(Cc2ccc(C(F)(F)F)nc2)CC1C1NC(=O)c2cnc(-c3ccc(F)cc3)n2N1.
What is the InChIKey of 7-(4-fluorophenyl)-2-[4-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one?
The InChIKey is XQXAMNZYYITLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F4N6O/c1-13-10-32(11-14-2-7-19(28-8-14)23(25,26)27)12-17(13)20-30-22(34)18-9-29-21(33(18)31-20)15-3-5-16(24)6-4-15/h2-9,13,17,20,31H,10-12H2,1H3,(H,30,34).
What are the key properties of 7-(4-fluorophenyl)-2-[4-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one?
7-(4-fluorophenyl)-2-[4-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one has a molecular weight of 474.46 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-2-[4-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 78147114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).