N-[1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-2-ylacetamide

C23H20FN5O — CID 18674131

IUPACN-[1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-2-ylacetamide
SMILESCCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1ccccn1
InChIInChI=1S/C23H20FN5O/c1-2-29-23(27-20(30)15-19-5-3-4-12-26-19)21(16-10-13-25-14-11-16)22(28-29)17-6-8-18(24)9-7-17/h3-14H,2,15H2,1H3,(H,27,30)
InChIKeyBDOSUJKAMWPJKP-UHFFFAOYSA-N
MW401.45 g/mol
LogP4.35
Rot. Bonds6

About N-[1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-2-ylacetamide

N-[1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-2-ylacetamide (PubChem CID 18674131) has the molecular formula C23H20FN5O and a molecular weight of 401.45 g/mol. Its IUPAC name is N-[1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-2-ylacetamide
PubChem CID18674131
Molecular FormulaC23H20FN5O
Molecular Weight401.45 g/mol
Exact Mass401.17
IUPAC NameN-[1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-2-ylacetamide
SMILESCCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1ccccn1
InChIInChI=1S/C23H20FN5O/c1-2-29-23(27-20(30)15-19-5-3-4-12-26-19)21(16-10-13-25-14-11-16)22(28-29)17-6-8-18(24)9-7-17/h3-14H,2,15H2,1H3,(H,27,30)
InChIKeyBDOSUJKAMWPJKP-UHFFFAOYSA-N
XLogP4.35
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-2-ylacetamide 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-[1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-2-ylacetamide (CID 18674131) is N-[1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-2-ylacetamide is CCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1ccccn1.
What is the InChIKey of N-[1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-2-ylacetamide?
The InChIKey is BDOSUJKAMWPJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O/c1-2-29-23(27-20(30)15-19-5-3-4-12-26-19)21(16-10-13-25-14-11-16)22(28-29)17-6-8-18(24)9-7-17/h3-14H,2,15H2,1H3,(H,27,30).
What are the key properties of N-[1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-2-ylacetamide?
N-[1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-2-ylacetamide has a molecular weight of 401.45 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 18674131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).