4-[[2-(3-cyclopropyl-4-hydroxypyrazin-1-yl)-4-pyridinyl]oxy]-3-fluoroaniline

C18H17FN4O2 — CID 164606134

IUPAC4-[[2-(3-cyclopropyl-4-hydroxypyrazin-1-yl)-4-pyridinyl]oxy]-3-fluoroaniline
SMILESNc1ccc(Oc2ccnc(N3C=CN(O)C(C4CC4)=C3)c2)c(F)c1
InChIInChI=1S/C18H17FN4O2/c19-15-9-13(20)3-4-17(15)25-14-5-6-21-18(10-14)22-7-8-23(24)16(11-22)12-1-2-12/h3-12,24H,1-2,20H2
InChIKeyAASVTGBWLPKETO-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.83
Rot. Bonds4

About 4-[[2-(3-cyclopropyl-4-hydroxypyrazin-1-yl)-4-pyridinyl]oxy]-3-fluoroaniline

4-[[2-(3-cyclopropyl-4-hydroxypyrazin-1-yl)-4-pyridinyl]oxy]-3-fluoroaniline (PubChem CID 164606134) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 4-[[2-(3-cyclopropyl-4-hydroxypyrazin-1-yl)-4-pyridinyl]oxy]-3-fluoroaniline.

Molecular Properties

Compound Name4-[[2-(3-cyclopropyl-4-hydroxypyrazin-1-yl)-4-pyridinyl]oxy]-3-fluoroaniline
PubChem CID164606134
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name4-[[2-(3-cyclopropyl-4-hydroxypyrazin-1-yl)-4-pyridinyl]oxy]-3-fluoroaniline
SMILESNc1ccc(Oc2ccnc(N3C=CN(O)C(C4CC4)=C3)c2)c(F)c1
InChIInChI=1S/C18H17FN4O2/c19-15-9-13(20)3-4-17(15)25-14-5-6-21-18(10-14)22-7-8-23(24)16(11-22)12-1-2-12/h3-12,24H,1-2,20H2
InChIKeyAASVTGBWLPKETO-UHFFFAOYSA-N
XLogP3.83
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[[2-(3-cyclopropyl-4-hydroxypyrazin-1-yl)-4-pyridinyl]oxy]-3-fluoroaniline with MolForge

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Related Compounds

4-(4-amino-2-fluorophenoxy)-N-methylpyridin-2-amine
CID 67252307
4-(4-aminophenoxy)-3-fluoroaniline
CID 66486728
3-[4-(4-amino-2-fluorophenoxy)-2-pyridinyl]-1,1-dimethylurea
CID 23153283
5-(4-amino-2-fluorophenoxy)pyridin-3-ol
CID 143108339
N-[4-(4-amino-2-fluorophenoxy)-2-pyridinyl]-2-morpholin-4-ylacetamide
CID 23153235
3-fluoro-4-(1-methylpyrazol-4-yl)oxyaniline
CID 116792351
4-[(2-chloro-4-pyridinyl)methoxy]-3-fluoroaniline
CID 141490423
3-fluoro-4-(4-iodophenoxy)aniline
CID 43144708
3-fluoro-4-[(1-methyl-2,3-dihydropyrrolo[2,3-c]pyridin-7-yl)oxy]aniline
CID 89043701
3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyaniline
CID 155679210
4-(4-amino-2-fluorophenoxy)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylic acid
CID 175096326
[4-(4-amino-2-fluorophenoxy)pyrrolo[2,3-b]pyridin-1-yl]methanol
CID 76850851

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-cyclopropyl-4-hydroxypyrazin-1-yl)-4-pyridinyl]oxy]-3-fluoroaniline?
The IUPAC name of 4-[[2-(3-cyclopropyl-4-hydroxypyrazin-1-yl)-4-pyridinyl]oxy]-3-fluoroaniline (CID 164606134) is 4-[[2-(3-cyclopropyl-4-hydroxypyrazin-1-yl)-4-pyridinyl]oxy]-3-fluoroaniline.
What is the SMILES notation for 4-[[2-(3-cyclopropyl-4-hydroxypyrazin-1-yl)-4-pyridinyl]oxy]-3-fluoroaniline?
The canonical SMILES for 4-[[2-(3-cyclopropyl-4-hydroxypyrazin-1-yl)-4-pyridinyl]oxy]-3-fluoroaniline is Nc1ccc(Oc2ccnc(N3C=CN(O)C(C4CC4)=C3)c2)c(F)c1.
What is the InChIKey of 4-[[2-(3-cyclopropyl-4-hydroxypyrazin-1-yl)-4-pyridinyl]oxy]-3-fluoroaniline?
The InChIKey is AASVTGBWLPKETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-15-9-13(20)3-4-17(15)25-14-5-6-21-18(10-14)22-7-8-23(24)16(11-22)12-1-2-12/h3-12,24H,1-2,20H2.
What are the key properties of 4-[[2-(3-cyclopropyl-4-hydroxypyrazin-1-yl)-4-pyridinyl]oxy]-3-fluoroaniline?
4-[[2-(3-cyclopropyl-4-hydroxypyrazin-1-yl)-4-pyridinyl]oxy]-3-fluoroaniline has a molecular weight of 340.36 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-cyclopropyl-4-hydroxypyrazin-1-yl)-4-pyridinyl]oxy]-3-fluoroaniline is sourced from PubChem (CID 164606134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).