2-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenoxy]pyrazine

C18H19N5O2 — CID 154881106

IUPAC2-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenoxy]pyrazine
SMILESCn1cc(CN2CC2COc2ccc(Oc3cnccn3)cc2)cn1
InChIInChI=1S/C18H19N5O2/c1-22-10-14(8-21-22)11-23-12-15(23)13-24-16-2-4-17(5-3-16)25-18-9-19-6-7-20-18/h2-10,15H,11-13H2,1H3
InChIKeyHUOWJPQHLQZNMI-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.27
Rot. Bonds7

About 2-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenoxy]pyrazine

2-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenoxy]pyrazine (PubChem CID 154881106) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenoxy]pyrazine.

Molecular Properties

Compound Name2-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenoxy]pyrazine
PubChem CID154881106
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenoxy]pyrazine
SMILESCn1cc(CN2CC2COc2ccc(Oc3cnccn3)cc2)cn1
InChIInChI=1S/C18H19N5O2/c1-22-10-14(8-21-22)11-23-12-15(23)13-24-16-2-4-17(5-3-16)25-18-9-19-6-7-20-18/h2-10,15H,11-13H2,1H3
InChIKeyHUOWJPQHLQZNMI-UHFFFAOYSA-N
XLogP2.27
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenoxy]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-3-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine
CID 154880789
4-[3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine
CID 154881328
(4-methylpiperazin-1-yl)-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]methanone
CID 154880845
3-[2-fluoro-3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine
CID 154881104
8-chloro-3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]quinoline
CID 154880095
2-[4-[(2,5-dimethylpiperazin-1-yl)methyl]phenoxy]pyrazine
CID 120906234
2-(4-pyrazin-2-yloxyphenoxy)pyrazine
CID 101444877
methyl 3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]naphthalene-2-carboxylate
CID 154880799
2-[4-[[(2R,4S)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy]pyrazine
CID 99788164
2-[4-(pyridin-3-ylmethoxy)phenoxy]pyrazine
CID 167789022
2-[4-[[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methyl]phenoxy]pyrazine
CID 97160514
1-benzyl-2-[[4-[2-[4-[(1-benzylaziridin-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]aziridine
CID 137491895

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenoxy]pyrazine?
The IUPAC name of 2-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenoxy]pyrazine (CID 154881106) is 2-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenoxy]pyrazine.
What is the SMILES notation for 2-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenoxy]pyrazine?
The canonical SMILES for 2-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenoxy]pyrazine is Cn1cc(CN2CC2COc2ccc(Oc3cnccn3)cc2)cn1.
What is the InChIKey of 2-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenoxy]pyrazine?
The InChIKey is HUOWJPQHLQZNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-22-10-14(8-21-22)11-23-12-15(23)13-24-16-2-4-17(5-3-16)25-18-9-19-6-7-20-18/h2-10,15H,11-13H2,1H3.
What are the key properties of 2-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenoxy]pyrazine?
2-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenoxy]pyrazine has a molecular weight of 337.38 g/mol, XLogP of 2.27, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenoxy]pyrazine is sourced from PubChem (CID 154881106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).