N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide

C20H21FN4O2 — CID 67107014

IUPACN-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(-c2cn(C(C)C)nc2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C20H21FN4O2/c1-13(2)25-11-17(20(24-25)14-4-6-16(21)7-5-14)15-8-9-22-18(10-15)23-19(26)12-27-3/h4-11,13H,12H2,1-3H3,(H,22,23,26)
InChIKeyIIWSQMKFEIBHTD-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.92
Rot. Bonds6

About N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide

N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide (PubChem CID 67107014) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide
PubChem CID67107014
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC NameN-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(-c2cn(C(C)C)nc2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C20H21FN4O2/c1-13(2)25-11-17(20(24-25)14-4-6-16(21)7-5-14)15-8-9-22-18(10-15)23-19(26)12-27-3/h4-11,13H,12H2,1-3H3,(H,22,23,26)
InChIKeyIIWSQMKFEIBHTD-UHFFFAOYSA-N
XLogP3.92
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide 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-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide?
The IUPAC name of N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide (CID 67107014) is N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide?
The canonical SMILES for N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide is COCC(=O)Nc1cc(-c2cn(C(C)C)nc2-c2ccc(F)cc2)ccn1.
What is the InChIKey of N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide?
The InChIKey is IIWSQMKFEIBHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-13(2)25-11-17(20(24-25)14-4-6-16(21)7-5-14)15-8-9-22-18(10-15)23-19(26)12-27-3/h4-11,13H,12H2,1-3H3,(H,22,23,26).
What are the key properties of N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide?
N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide has a molecular weight of 368.41 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide is sourced from PubChem (CID 67107014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).