[2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(4-cyanophenyl)ethyl] 2-(1H-imidazol-2-yl)acetate

C24H18ClN5O3 — CID 18779761

IUPAC[2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(4-cyanophenyl)ethyl] 2-(1H-imidazol-2-yl)acetate
SMILESN#Cc1ccc(C(Cc2ccc(-n3cc(Cl)ccc3=O)nc2)OC(=O)Cc2ncc[nH]2)cc1
InChIInChI=1S/C24H18ClN5O3/c25-19-6-8-23(31)30(15-19)22-7-3-17(14-29-22)11-20(18-4-1-16(13-26)2-5-18)33-24(32)12-21-27-9-10-28-21/h1-10,14-15,20H,11-12H2,(H,27,28)
InChIKeyQFOWKLMVDZNQCE-UHFFFAOYSA-N
MW459.89 g/mol
LogP3.55
Rot. Bonds7

About [2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(4-cyanophenyl)ethyl] 2-(1H-imidazol-2-yl)acetate

[2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(4-cyanophenyl)ethyl] 2-(1H-imidazol-2-yl)acetate (PubChem CID 18779761) has the molecular formula C24H18ClN5O3 and a molecular weight of 459.89 g/mol. Its IUPAC name is [2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(4-cyanophenyl)ethyl] 2-(1H-imidazol-2-yl)acetate.

Molecular Properties

Compound Name[2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(4-cyanophenyl)ethyl] 2-(1H-imidazol-2-yl)acetate
PubChem CID18779761
Molecular FormulaC24H18ClN5O3
Molecular Weight459.89 g/mol
Exact Mass459.11
IUPAC Name[2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(4-cyanophenyl)ethyl] 2-(1H-imidazol-2-yl)acetate
SMILESN#Cc1ccc(C(Cc2ccc(-n3cc(Cl)ccc3=O)nc2)OC(=O)Cc2ncc[nH]2)cc1
InChIInChI=1S/C24H18ClN5O3/c25-19-6-8-23(31)30(15-19)22-7-3-17(14-29-22)11-20(18-4-1-16(13-26)2-5-18)33-24(32)12-21-27-9-10-28-21/h1-10,14-15,20H,11-12H2,(H,27,28)
InChIKeyQFOWKLMVDZNQCE-UHFFFAOYSA-N
XLogP3.55
TPSA113.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.89
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(4-cyanophenyl)ethyl] 2-(1H-imidazol-2-yl)acetate with MolForge

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Launch Full Analysis

Related Compounds

4-[[(2R)-1-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-5-(1H-imidazol-2-yl)pentan-2-yl]oxymethyl]benzonitrile
CID 18391369
4-[[3-[[6-(5-Chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-4-yl]-methoxymethyl]benzonitrile
CID 18779691
4-[2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile
CID 18779694
Benzyl 3-[4-(8-cyanoimidazo[1,2-a]pyridin-2-yl)benzamido]propionate
CID 19965295
4-[2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-[4-(1H-imidazol-2-yl)butoxy]ethyl]benzonitrile
CID 21219227
[[6-(5-Chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl] acetate
CID 54556768
(4-cyanophenyl)methyl (2R)-3-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-2-(1H-imidazol-2-yl)propanoate
CID 57204771
2-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methoxy-(1H-imidazol-5-yl)methyl]benzonitrile
CID 57240684
ethyl 4-[6-amino-5-cyano-4-(1H-imidazol-5-yl)-2-pyridinyl]benzoate
CID 60100518
benzyl (3S)-3-[5-(4-cyanophenyl)-1H-imidazol-2-yl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 66938947
benzyl 3-[5-(4-cyanophenyl)-1H-imidazol-2-yl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 66938949
4-[(R)-[3-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-4-yl]-methoxymethyl]benzonitrile
CID 70290181

Frequently Asked Questions

What is the IUPAC name of [2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(4-cyanophenyl)ethyl] 2-(1H-imidazol-2-yl)acetate?
The IUPAC name of [2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(4-cyanophenyl)ethyl] 2-(1H-imidazol-2-yl)acetate (CID 18779761) is [2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(4-cyanophenyl)ethyl] 2-(1H-imidazol-2-yl)acetate.
What is the SMILES notation for [2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(4-cyanophenyl)ethyl] 2-(1H-imidazol-2-yl)acetate?
The canonical SMILES for [2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(4-cyanophenyl)ethyl] 2-(1H-imidazol-2-yl)acetate is N#Cc1ccc(C(Cc2ccc(-n3cc(Cl)ccc3=O)nc2)OC(=O)Cc2ncc[nH]2)cc1.
What is the InChIKey of [2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(4-cyanophenyl)ethyl] 2-(1H-imidazol-2-yl)acetate?
The InChIKey is QFOWKLMVDZNQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN5O3/c25-19-6-8-23(31)30(15-19)22-7-3-17(14-29-22)11-20(18-4-1-16(13-26)2-5-18)33-24(32)12-21-27-9-10-28-21/h1-10,14-15,20H,11-12H2,(H,27,28).
What are the key properties of [2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(4-cyanophenyl)ethyl] 2-(1H-imidazol-2-yl)acetate?
[2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(4-cyanophenyl)ethyl] 2-(1H-imidazol-2-yl)acetate has a molecular weight of 459.89 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(4-cyanophenyl)ethyl] 2-(1H-imidazol-2-yl)acetate is sourced from PubChem (CID 18779761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).