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

C23H25FN6O2 — CID 78147118

IUPAC7-(4-fluorophenyl)-2-[1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCOc1ccc(CN2CC(C)C(C3NC(=O)c4cnc(-c5ccc(F)cc5)n4N3)C2)cn1
InChIInChI=1S/C23H25FN6O2/c1-14-11-29(12-15-3-8-20(32-2)25-9-15)13-18(14)21-27-23(31)19-10-26-22(30(19)28-21)16-4-6-17(24)7-5-16/h3-10,14,18,21,28H,11-13H2,1-2H3,(H,27,31)
InChIKeyYHLZOKGTALLBCX-UHFFFAOYSA-N
MW436.49 g/mol
LogP2.47
Rot. Bonds5

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

7-(4-fluorophenyl)-2-[1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one (PubChem CID 78147118) has the molecular formula C23H25FN6O2 and a molecular weight of 436.49 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-2-[1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name7-(4-fluorophenyl)-2-[1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one
PubChem CID78147118
Molecular FormulaC23H25FN6O2
Molecular Weight436.49 g/mol
Exact Mass436.20
IUPAC Name7-(4-fluorophenyl)-2-[1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCOc1ccc(CN2CC(C)C(C3NC(=O)c4cnc(-c5ccc(F)cc5)n4N3)C2)cn1
InChIInChI=1S/C23H25FN6O2/c1-14-11-29(12-15-3-8-20(32-2)25-9-15)13-18(14)21-27-23(31)19-10-26-22(30(19)28-21)16-4-6-17(24)7-5-16/h3-10,14,18,21,28H,11-13H2,1-2H3,(H,27,31)
InChIKeyYHLZOKGTALLBCX-UHFFFAOYSA-N
XLogP2.47
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-2-[1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one?
The IUPAC name of 7-(4-fluorophenyl)-2-[1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one (CID 78147118) is 7-(4-fluorophenyl)-2-[1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrrolidin-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-[1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 7-(4-fluorophenyl)-2-[1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one is COc1ccc(CN2CC(C)C(C3NC(=O)c4cnc(-c5ccc(F)cc5)n4N3)C2)cn1.
What is the InChIKey of 7-(4-fluorophenyl)-2-[1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one?
The InChIKey is YHLZOKGTALLBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O2/c1-14-11-29(12-15-3-8-20(32-2)25-9-15)13-18(14)21-27-23(31)19-10-26-22(30(19)28-21)16-4-6-17(24)7-5-16/h3-10,14,18,21,28H,11-13H2,1-2H3,(H,27,31).
What are the key properties of 7-(4-fluorophenyl)-2-[1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one?
7-(4-fluorophenyl)-2-[1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one has a molecular weight of 436.49 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-2-[1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 78147118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).