4-[[(2R)-1-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-5-(1H-imidazol-2-yl)pentan-2-yl]oxymethyl]benzonitrile

C26H24ClN5O2 — CID 18391369

IUPAC4-[[(2R)-1-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-5-(1H-imidazol-2-yl)pentan-2-yl]oxymethyl]benzonitrile
SMILESN#Cc1ccc(CO[C@H](CCCc2ncc[nH]2)Cc2ccc(-n3cc(Cl)ccc3=O)nc2)cc1
InChIInChI=1S/C26H24ClN5O2/c27-22-9-11-26(33)32(17-22)25-10-8-21(16-31-25)14-23(2-1-3-24-29-12-13-30-24)34-18-20-6-4-19(15-28)5-7-20/h4-13,16-17,23H,1-3,14,18H2,(H,29,30)/t23-/m1/s1
InChIKeyFWYRMZVEHMNPGC-HSZRJFAPSA-N
MW473.96 g/mol
LogP4.63
Rot. Bonds10

About 4-[[(2R)-1-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-5-(1H-imidazol-2-yl)pentan-2-yl]oxymethyl]benzonitrile

4-[[(2R)-1-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-5-(1H-imidazol-2-yl)pentan-2-yl]oxymethyl]benzonitrile (PubChem CID 18391369) has the molecular formula C26H24ClN5O2 and a molecular weight of 473.96 g/mol. Its IUPAC name is 4-[[(2R)-1-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-5-(1H-imidazol-2-yl)pentan-2-yl]oxymethyl]benzonitrile.

Molecular Properties

Compound Name4-[[(2R)-1-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-5-(1H-imidazol-2-yl)pentan-2-yl]oxymethyl]benzonitrile
PubChem CID18391369
Molecular FormulaC26H24ClN5O2
Molecular Weight473.96 g/mol
Exact Mass473.16
IUPAC Name4-[[(2R)-1-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-5-(1H-imidazol-2-yl)pentan-2-yl]oxymethyl]benzonitrile
SMILESN#Cc1ccc(CO[C@H](CCCc2ncc[nH]2)Cc2ccc(-n3cc(Cl)ccc3=O)nc2)cc1
InChIInChI=1S/C26H24ClN5O2/c27-22-9-11-26(33)32(17-22)25-10-8-21(16-31-25)14-23(2-1-3-24-29-12-13-30-24)34-18-20-6-4-19(15-28)5-7-20/h4-13,16-17,23H,1-3,14,18H2,(H,29,30)/t23-/m1/s1
InChIKeyFWYRMZVEHMNPGC-HSZRJFAPSA-N
XLogP4.63
TPSA96.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.96
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[(2R)-1-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-5-(1H-imidazol-2-yl)pentan-2-yl]oxymethyl]benzonitrile 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 4-[[(2R)-1-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-5-(1H-imidazol-2-yl)pentan-2-yl]oxymethyl]benzonitrile?
The IUPAC name of 4-[[(2R)-1-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-5-(1H-imidazol-2-yl)pentan-2-yl]oxymethyl]benzonitrile (CID 18391369) is 4-[[(2R)-1-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-5-(1H-imidazol-2-yl)pentan-2-yl]oxymethyl]benzonitrile.
What is the SMILES notation for 4-[[(2R)-1-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-5-(1H-imidazol-2-yl)pentan-2-yl]oxymethyl]benzonitrile?
The canonical SMILES for 4-[[(2R)-1-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-5-(1H-imidazol-2-yl)pentan-2-yl]oxymethyl]benzonitrile is N#Cc1ccc(CO[C@H](CCCc2ncc[nH]2)Cc2ccc(-n3cc(Cl)ccc3=O)nc2)cc1.
What is the InChIKey of 4-[[(2R)-1-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-5-(1H-imidazol-2-yl)pentan-2-yl]oxymethyl]benzonitrile?
The InChIKey is FWYRMZVEHMNPGC-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H24ClN5O2/c27-22-9-11-26(33)32(17-22)25-10-8-21(16-31-25)14-23(2-1-3-24-29-12-13-30-24)34-18-20-6-4-19(15-28)5-7-20/h4-13,16-17,23H,1-3,14,18H2,(H,29,30)/t23-/m1/s1.
What are the key properties of 4-[[(2R)-1-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-5-(1H-imidazol-2-yl)pentan-2-yl]oxymethyl]benzonitrile?
4-[[(2R)-1-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-5-(1H-imidazol-2-yl)pentan-2-yl]oxymethyl]benzonitrile has a molecular weight of 473.96 g/mol, XLogP of 4.63, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-1-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-5-(1H-imidazol-2-yl)pentan-2-yl]oxymethyl]benzonitrile is sourced from PubChem (CID 18391369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).