N-[4-(2-fluoro-4-nitrophenoxy)pyrazolo[1,5-a]pyridin-6-yl]acetamide

C15H11FN4O4 — CID 118197801

IUPACN-[4-(2-fluoro-4-nitrophenoxy)pyrazolo[1,5-a]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc([N+](=O)[O-])cc2F)c2ccnn2c1
InChIInChI=1S/C15H11FN4O4/c1-9(21)18-10-6-15(13-4-5-17-19(13)8-10)24-14-3-2-11(20(22)23)7-12(14)16/h2-8H,1H3,(H,18,21)
InChIKeyMERZPFXSVQDXOA-UHFFFAOYSA-N
MW330.28 g/mol
LogP3.13
Rot. Bonds4

About N-[4-(2-fluoro-4-nitrophenoxy)pyrazolo[1,5-a]pyridin-6-yl]acetamide

N-[4-(2-fluoro-4-nitrophenoxy)pyrazolo[1,5-a]pyridin-6-yl]acetamide (PubChem CID 118197801) has the molecular formula C15H11FN4O4 and a molecular weight of 330.28 g/mol. Its IUPAC name is N-[4-(2-fluoro-4-nitrophenoxy)pyrazolo[1,5-a]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2-fluoro-4-nitrophenoxy)pyrazolo[1,5-a]pyridin-6-yl]acetamide
PubChem CID118197801
Molecular FormulaC15H11FN4O4
Molecular Weight330.28 g/mol
Exact Mass330.08
IUPAC NameN-[4-(2-fluoro-4-nitrophenoxy)pyrazolo[1,5-a]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc([N+](=O)[O-])cc2F)c2ccnn2c1
InChIInChI=1S/C15H11FN4O4/c1-9(21)18-10-6-15(13-4-5-17-19(13)8-10)24-14-3-2-11(20(22)23)7-12(14)16/h2-8H,1H3,(H,18,21)
InChIKeyMERZPFXSVQDXOA-UHFFFAOYSA-N
XLogP3.13
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.28
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-(2-fluoro-4-nitrophenoxy)pyrazolo[1,5-a]pyridin-6-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluoro-4-nitrophenoxy)pyrazolo[1,5-a]pyridin-6-yl]acetamide?
The IUPAC name of N-[4-(2-fluoro-4-nitrophenoxy)pyrazolo[1,5-a]pyridin-6-yl]acetamide (CID 118197801) is N-[4-(2-fluoro-4-nitrophenoxy)pyrazolo[1,5-a]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[4-(2-fluoro-4-nitrophenoxy)pyrazolo[1,5-a]pyridin-6-yl]acetamide?
The canonical SMILES for N-[4-(2-fluoro-4-nitrophenoxy)pyrazolo[1,5-a]pyridin-6-yl]acetamide is CC(=O)Nc1cc(Oc2ccc([N+](=O)[O-])cc2F)c2ccnn2c1.
What is the InChIKey of N-[4-(2-fluoro-4-nitrophenoxy)pyrazolo[1,5-a]pyridin-6-yl]acetamide?
The InChIKey is MERZPFXSVQDXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O4/c1-9(21)18-10-6-15(13-4-5-17-19(13)8-10)24-14-3-2-11(20(22)23)7-12(14)16/h2-8H,1H3,(H,18,21).
What are the key properties of N-[4-(2-fluoro-4-nitrophenoxy)pyrazolo[1,5-a]pyridin-6-yl]acetamide?
N-[4-(2-fluoro-4-nitrophenoxy)pyrazolo[1,5-a]pyridin-6-yl]acetamide has a molecular weight of 330.28 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluoro-4-nitrophenoxy)pyrazolo[1,5-a]pyridin-6-yl]acetamide is sourced from PubChem (CID 118197801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).