2-benzo[e][1]benzofuran-2-yl-N-[1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetamide

C22H15FN4O2 — CID 166187508

IUPAC2-benzo[e][1]benzofuran-2-yl-N-[1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetamide
SMILESO=C(Cc1cc2c(ccc3ccccc32)o1)Nc1ccn(-c2ncccc2F)n1
InChIInChI=1S/C22H15FN4O2/c23-18-6-3-10-24-22(18)27-11-9-20(26-27)25-21(28)13-15-12-17-16-5-2-1-4-14(16)7-8-19(17)29-15/h1-12H,13H2,(H,25,26,28)
InChIKeyPOWCDIYXHNJRSA-UHFFFAOYSA-N
MW386.39 g/mol
LogP4.49
Rot. Bonds4

About 2-benzo[e][1]benzofuran-2-yl-N-[1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetamide

2-benzo[e][1]benzofuran-2-yl-N-[1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetamide (PubChem CID 166187508) has the molecular formula C22H15FN4O2 and a molecular weight of 386.39 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-2-yl-N-[1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-2-yl-N-[1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetamide
PubChem CID166187508
Molecular FormulaC22H15FN4O2
Molecular Weight386.39 g/mol
Exact Mass386.12
IUPAC Name2-benzo[e][1]benzofuran-2-yl-N-[1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetamide
SMILESO=C(Cc1cc2c(ccc3ccccc32)o1)Nc1ccn(-c2ncccc2F)n1
InChIInChI=1S/C22H15FN4O2/c23-18-6-3-10-24-22(18)27-11-9-20(26-27)25-21(28)13-15-12-17-16-5-2-1-4-14(16)7-8-19(17)29-15/h1-12H,13H2,(H,25,26,28)
InChIKeyPOWCDIYXHNJRSA-UHFFFAOYSA-N
XLogP4.49
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-2-yl-N-[1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-2-yl-N-[1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetamide (CID 166187508) is 2-benzo[e][1]benzofuran-2-yl-N-[1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-2-yl-N-[1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-2-yl-N-[1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetamide is O=C(Cc1cc2c(ccc3ccccc32)o1)Nc1ccn(-c2ncccc2F)n1.
What is the InChIKey of 2-benzo[e][1]benzofuran-2-yl-N-[1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetamide?
The InChIKey is POWCDIYXHNJRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN4O2/c23-18-6-3-10-24-22(18)27-11-9-20(26-27)25-21(28)13-15-12-17-16-5-2-1-4-14(16)7-8-19(17)29-15/h1-12H,13H2,(H,25,26,28).
What are the key properties of 2-benzo[e][1]benzofuran-2-yl-N-[1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetamide?
2-benzo[e][1]benzofuran-2-yl-N-[1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetamide has a molecular weight of 386.39 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-2-yl-N-[1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 166187508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).