4-[2-[[2-(2-cyclopropylimidazol-1-yl)-4-pyridinyl]oxy]ethoxy]-3-fluorobenzonitrile

C20H17FN4O2 — CID 138471398

IUPAC4-[2-[[2-(2-cyclopropylimidazol-1-yl)-4-pyridinyl]oxy]ethoxy]-3-fluorobenzonitrile
SMILESN#Cc1ccc(OCCOc2ccnc(-n3ccnc3C3CC3)c2)c(F)c1
InChIInChI=1S/C20H17FN4O2/c21-17-11-14(13-22)1-4-18(17)27-10-9-26-16-5-6-23-19(12-16)25-8-7-24-20(25)15-2-3-15/h1,4-8,11-12,15H,2-3,9-10H2
InChIKeyAFWXTPFNTYWQBR-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.61
Rot. Bonds7

About 4-[2-[[2-(2-cyclopropylimidazol-1-yl)-4-pyridinyl]oxy]ethoxy]-3-fluorobenzonitrile

4-[2-[[2-(2-cyclopropylimidazol-1-yl)-4-pyridinyl]oxy]ethoxy]-3-fluorobenzonitrile (PubChem CID 138471398) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is 4-[2-[[2-(2-cyclopropylimidazol-1-yl)-4-pyridinyl]oxy]ethoxy]-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[2-[[2-(2-cyclopropylimidazol-1-yl)-4-pyridinyl]oxy]ethoxy]-3-fluorobenzonitrile
PubChem CID138471398
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name4-[2-[[2-(2-cyclopropylimidazol-1-yl)-4-pyridinyl]oxy]ethoxy]-3-fluorobenzonitrile
SMILESN#Cc1ccc(OCCOc2ccnc(-n3ccnc3C3CC3)c2)c(F)c1
InChIInChI=1S/C20H17FN4O2/c21-17-11-14(13-22)1-4-18(17)27-10-9-26-16-5-6-23-19(12-16)25-8-7-24-20(25)15-2-3-15/h1,4-8,11-12,15H,2-3,9-10H2
InChIKeyAFWXTPFNTYWQBR-UHFFFAOYSA-N
XLogP3.61
TPSA72.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(2-cyclopropylimidazol-1-yl)-4-pyridinyl]oxy]ethoxy]-3-fluorobenzonitrile?
The IUPAC name of 4-[2-[[2-(2-cyclopropylimidazol-1-yl)-4-pyridinyl]oxy]ethoxy]-3-fluorobenzonitrile (CID 138471398) is 4-[2-[[2-(2-cyclopropylimidazol-1-yl)-4-pyridinyl]oxy]ethoxy]-3-fluorobenzonitrile.
What is the SMILES notation for 4-[2-[[2-(2-cyclopropylimidazol-1-yl)-4-pyridinyl]oxy]ethoxy]-3-fluorobenzonitrile?
The canonical SMILES for 4-[2-[[2-(2-cyclopropylimidazol-1-yl)-4-pyridinyl]oxy]ethoxy]-3-fluorobenzonitrile is N#Cc1ccc(OCCOc2ccnc(-n3ccnc3C3CC3)c2)c(F)c1.
What is the InChIKey of 4-[2-[[2-(2-cyclopropylimidazol-1-yl)-4-pyridinyl]oxy]ethoxy]-3-fluorobenzonitrile?
The InChIKey is AFWXTPFNTYWQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c21-17-11-14(13-22)1-4-18(17)27-10-9-26-16-5-6-23-19(12-16)25-8-7-24-20(25)15-2-3-15/h1,4-8,11-12,15H,2-3,9-10H2.
What are the key properties of 4-[2-[[2-(2-cyclopropylimidazol-1-yl)-4-pyridinyl]oxy]ethoxy]-3-fluorobenzonitrile?
4-[2-[[2-(2-cyclopropylimidazol-1-yl)-4-pyridinyl]oxy]ethoxy]-3-fluorobenzonitrile has a molecular weight of 364.38 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(2-cyclopropylimidazol-1-yl)-4-pyridinyl]oxy]ethoxy]-3-fluorobenzonitrile is sourced from PubChem (CID 138471398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).