(2S)-2-(4-fluorophenoxy)-N-[[3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]methyl]propanamide

C25H23FN4O2 — CID 124948081

IUPAC(2S)-2-(4-fluorophenoxy)-N-[[3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]methyl]propanamide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)NCc1cccc(-c2nn(C)cc2-c2ccncc2)c1
InChIInChI=1S/C25H23FN4O2/c1-17(32-22-8-6-21(26)7-9-22)25(31)28-15-18-4-3-5-20(14-18)24-23(16-30(2)29-24)19-10-12-27-13-11-19/h3-14,16-17H,15H2,1-2H3,(H,28,31)/t17-/m0/s1
InChIKeyCKIKYOMCRJWEEC-KRWDZBQOSA-N
MW430.48 g/mol
LogP4.37
Rot. Bonds7

About (2S)-2-(4-fluorophenoxy)-N-[[3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]methyl]propanamide

(2S)-2-(4-fluorophenoxy)-N-[[3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]methyl]propanamide (PubChem CID 124948081) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenoxy)-N-[[3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenoxy)-N-[[3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]methyl]propanamide
PubChem CID124948081
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC Name(2S)-2-(4-fluorophenoxy)-N-[[3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]methyl]propanamide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)NCc1cccc(-c2nn(C)cc2-c2ccncc2)c1
InChIInChI=1S/C25H23FN4O2/c1-17(32-22-8-6-21(26)7-9-22)25(31)28-15-18-4-3-5-20(14-18)24-23(16-30(2)29-24)19-10-12-27-13-11-19/h3-14,16-17H,15H2,1-2H3,(H,28,31)/t17-/m0/s1
InChIKeyCKIKYOMCRJWEEC-KRWDZBQOSA-N
XLogP4.37
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(4-fluorophenoxy)-N-[[3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]methyl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-2-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 1083198
(2S)-2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 40624060
(2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)propanamide
CID 28567347
2-(4-fluorophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide
CID 132760959
(2R)-2-(3-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 31882488
(2S)-2-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 670240
(2S)-2-phenoxy-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]propanamide
CID 129354694
2-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 6490042
2-(3-acetylphenoxy)-N-[(4-fluorophenyl)methyl]propanamide
CID 51235146
(2R)-N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenoxy)propanamide
CID 92675443
(2S)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenoxypropanamide
CID 97042298
2-(4-phenylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 4512766

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenoxy)-N-[[3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]methyl]propanamide?
The IUPAC name of (2S)-2-(4-fluorophenoxy)-N-[[3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]methyl]propanamide (CID 124948081) is (2S)-2-(4-fluorophenoxy)-N-[[3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]methyl]propanamide.
What is the SMILES notation for (2S)-2-(4-fluorophenoxy)-N-[[3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]methyl]propanamide?
The canonical SMILES for (2S)-2-(4-fluorophenoxy)-N-[[3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]methyl]propanamide is C[C@H](Oc1ccc(F)cc1)C(=O)NCc1cccc(-c2nn(C)cc2-c2ccncc2)c1.
What is the InChIKey of (2S)-2-(4-fluorophenoxy)-N-[[3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]methyl]propanamide?
The InChIKey is CKIKYOMCRJWEEC-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H23FN4O2/c1-17(32-22-8-6-21(26)7-9-22)25(31)28-15-18-4-3-5-20(14-18)24-23(16-30(2)29-24)19-10-12-27-13-11-19/h3-14,16-17H,15H2,1-2H3,(H,28,31)/t17-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenoxy)-N-[[3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]methyl]propanamide?
(2S)-2-(4-fluorophenoxy)-N-[[3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]methyl]propanamide has a molecular weight of 430.48 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenoxy)-N-[[3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 124948081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).