3-[2-fluoro-3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine

C19H19FN4O — CID 154881104

IUPAC3-[2-fluoro-3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine
SMILESCn1cc(CN2CC2COc2cccc(-c3cccnc3)c2F)cn1
InChIInChI=1S/C19H19FN4O/c1-23-10-14(8-22-23)11-24-12-16(24)13-25-18-6-2-5-17(19(18)20)15-4-3-7-21-9-15/h2-10,16H,11-13H2,1H3
InChIKeyIZYQLAVVCNWRAO-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.88
Rot. Bonds6

About 3-[2-fluoro-3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine

3-[2-fluoro-3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine (PubChem CID 154881104) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 3-[2-fluoro-3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine.

Molecular Properties

Compound Name3-[2-fluoro-3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine
PubChem CID154881104
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name3-[2-fluoro-3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine
SMILESCn1cc(CN2CC2COc2cccc(-c3cccnc3)c2F)cn1
InChIInChI=1S/C19H19FN4O/c1-23-10-14(8-22-23)11-24-12-16(24)13-25-18-6-2-5-17(19(18)20)15-4-3-7-21-9-15/h2-10,16H,11-13H2,1H3
InChIKeyIZYQLAVVCNWRAO-UHFFFAOYSA-N
XLogP2.88
TPSA42.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine?
The IUPAC name of 3-[2-fluoro-3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine (CID 154881104) is 3-[2-fluoro-3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine.
What is the SMILES notation for 3-[2-fluoro-3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine?
The canonical SMILES for 3-[2-fluoro-3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine is Cn1cc(CN2CC2COc2cccc(-c3cccnc3)c2F)cn1.
What is the InChIKey of 3-[2-fluoro-3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine?
The InChIKey is IZYQLAVVCNWRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-23-10-14(8-22-23)11-24-12-16(24)13-25-18-6-2-5-17(19(18)20)15-4-3-7-21-9-15/h2-10,16H,11-13H2,1H3.
What are the key properties of 3-[2-fluoro-3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine?
3-[2-fluoro-3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine has a molecular weight of 338.39 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine is sourced from PubChem (CID 154881104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).