(4S)-1-(4-phenylphenyl)-4-[5-(pyridin-2-ylmethyl)-2-pyridinyl]pentan-2-one

C28H26N2O — CID 58255208

IUPAC(4S)-1-(4-phenylphenyl)-4-[5-(pyridin-2-ylmethyl)-2-pyridinyl]pentan-2-one
SMILESC[C@@H](CC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccc(Cc2ccccn2)cn1
InChIInChI=1S/C28H26N2O/c1-21(28-15-12-23(20-30-28)18-26-9-5-6-16-29-26)17-27(31)19-22-10-13-25(14-11-22)24-7-3-2-4-8-24/h2-16,20-21H,17-19H2,1H3/t21-/m0/s1
InChIKeySECWRJYUQMSPJP-NRFANRHFSA-N
MW406.53 g/mol
LogP6.04
Rot. Bonds8

About (4S)-1-(4-phenylphenyl)-4-[5-(pyridin-2-ylmethyl)-2-pyridinyl]pentan-2-one

(4S)-1-(4-phenylphenyl)-4-[5-(pyridin-2-ylmethyl)-2-pyridinyl]pentan-2-one (PubChem CID 58255208) has the molecular formula C28H26N2O and a molecular weight of 406.53 g/mol. Its IUPAC name is (4S)-1-(4-phenylphenyl)-4-[5-(pyridin-2-ylmethyl)-2-pyridinyl]pentan-2-one.

Molecular Properties

Compound Name(4S)-1-(4-phenylphenyl)-4-[5-(pyridin-2-ylmethyl)-2-pyridinyl]pentan-2-one
PubChem CID58255208
Molecular FormulaC28H26N2O
Molecular Weight406.53 g/mol
Exact Mass406.20
IUPAC Name(4S)-1-(4-phenylphenyl)-4-[5-(pyridin-2-ylmethyl)-2-pyridinyl]pentan-2-one
SMILESC[C@@H](CC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccc(Cc2ccccn2)cn1
InChIInChI=1S/C28H26N2O/c1-21(28-15-12-23(20-30-28)18-26-9-5-6-16-29-26)17-27(31)19-22-10-13-25(14-11-22)24-7-3-2-4-8-24/h2-16,20-21H,17-19H2,1H3/t21-/m0/s1
InChIKeySECWRJYUQMSPJP-NRFANRHFSA-N
XLogP6.04
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S)-1-(4-phenylphenyl)-4-[5-(pyridin-2-ylmethyl)-2-pyridinyl]pentan-2-one 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 (4S)-1-(4-phenylphenyl)-4-[5-(pyridin-2-ylmethyl)-2-pyridinyl]pentan-2-one?
The IUPAC name of (4S)-1-(4-phenylphenyl)-4-[5-(pyridin-2-ylmethyl)-2-pyridinyl]pentan-2-one (CID 58255208) is (4S)-1-(4-phenylphenyl)-4-[5-(pyridin-2-ylmethyl)-2-pyridinyl]pentan-2-one.
What is the SMILES notation for (4S)-1-(4-phenylphenyl)-4-[5-(pyridin-2-ylmethyl)-2-pyridinyl]pentan-2-one?
The canonical SMILES for (4S)-1-(4-phenylphenyl)-4-[5-(pyridin-2-ylmethyl)-2-pyridinyl]pentan-2-one is C[C@@H](CC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccc(Cc2ccccn2)cn1.
What is the InChIKey of (4S)-1-(4-phenylphenyl)-4-[5-(pyridin-2-ylmethyl)-2-pyridinyl]pentan-2-one?
The InChIKey is SECWRJYUQMSPJP-NRFANRHFSA-N. The full InChI is InChI=1S/C28H26N2O/c1-21(28-15-12-23(20-30-28)18-26-9-5-6-16-29-26)17-27(31)19-22-10-13-25(14-11-22)24-7-3-2-4-8-24/h2-16,20-21H,17-19H2,1H3/t21-/m0/s1.
What are the key properties of (4S)-1-(4-phenylphenyl)-4-[5-(pyridin-2-ylmethyl)-2-pyridinyl]pentan-2-one?
(4S)-1-(4-phenylphenyl)-4-[5-(pyridin-2-ylmethyl)-2-pyridinyl]pentan-2-one has a molecular weight of 406.53 g/mol, XLogP of 6.04, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(4-phenylphenyl)-4-[5-(pyridin-2-ylmethyl)-2-pyridinyl]pentan-2-one is sourced from PubChem (CID 58255208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).