N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(5-methylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)acetamide

C27H27FN4O2 — CID 26282504

IUPACN-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(5-methylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1ccnn1CC(=O)N(Cc1ccncc1)Cc1cccc(OCCc2ccc(F)cc2)c1
InChIInChI=1S/C27H27FN4O2/c1-21-9-15-30-32(21)20-27(33)31(18-23-10-13-29-14-11-23)19-24-3-2-4-26(17-24)34-16-12-22-5-7-25(28)8-6-22/h2-11,13-15,17H,12,16,18-20H2,1H3
InChIKeyPZKQOBOONHVCLD-UHFFFAOYSA-N
MW458.54 g/mol
LogP4.58
Rot. Bonds10

About N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(5-methylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)acetamide

N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(5-methylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 26282504) has the molecular formula C27H27FN4O2 and a molecular weight of 458.54 g/mol. Its IUPAC name is N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(5-methylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(5-methylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID26282504
Molecular FormulaC27H27FN4O2
Molecular Weight458.54 g/mol
Exact Mass458.21
IUPAC NameN-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(5-methylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1ccnn1CC(=O)N(Cc1ccncc1)Cc1cccc(OCCc2ccc(F)cc2)c1
InChIInChI=1S/C27H27FN4O2/c1-21-9-15-30-32(21)20-27(33)31(18-23-10-13-29-14-11-23)19-24-3-2-4-26(17-24)34-16-12-22-5-7-25(28)8-6-22/h2-11,13-15,17H,12,16,18-20H2,1H3
InChIKeyPZKQOBOONHVCLD-UHFFFAOYSA-N
XLogP4.58
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(5-methylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)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-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(5-methylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(5-methylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)acetamide (CID 26282504) is N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(5-methylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(5-methylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(5-methylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)acetamide is Cc1ccnn1CC(=O)N(Cc1ccncc1)Cc1cccc(OCCc2ccc(F)cc2)c1.
What is the InChIKey of N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(5-methylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is PZKQOBOONHVCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O2/c1-21-9-15-30-32(21)20-27(33)31(18-23-10-13-29-14-11-23)19-24-3-2-4-26(17-24)34-16-12-22-5-7-25(28)8-6-22/h2-11,13-15,17H,12,16,18-20H2,1H3.
What are the key properties of N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(5-methylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)acetamide?
N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(5-methylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 458.54 g/mol, XLogP of 4.58, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(5-methylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 26282504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).