4-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]-1H-imidazol-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)benzonitrile

C24H17ClF3N5O2 — CID 57241380

IUPAC4-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]-1H-imidazol-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)benzonitrile
SMILESN#Cc1ccc(Cc2ncc(Cc3ccc(-n4cc(Cl)ccc4=O)nc3)[nH]2)cc1OCC(F)(F)F
InChIInChI=1S/C24H17ClF3N5O2/c25-18-4-6-23(34)33(13-18)22-5-2-16(11-31-22)7-19-12-30-21(32-19)9-15-1-3-17(10-29)20(8-15)35-14-24(26,27)28/h1-6,8,11-13H,7,9,14H2,(H,30,32)
InChIKeyVLWAYVGVNUSZJX-UHFFFAOYSA-N
MW499.88 g/mol
LogP4.60
Rot. Bonds7

About 4-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]-1H-imidazol-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)benzonitrile

4-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]-1H-imidazol-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)benzonitrile (PubChem CID 57241380) has the molecular formula C24H17ClF3N5O2 and a molecular weight of 499.88 g/mol. Its IUPAC name is 4-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]-1H-imidazol-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)benzonitrile.

Molecular Properties

Compound Name4-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]-1H-imidazol-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)benzonitrile
PubChem CID57241380
Molecular FormulaC24H17ClF3N5O2
Molecular Weight499.88 g/mol
Exact Mass499.10
IUPAC Name4-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]-1H-imidazol-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)benzonitrile
SMILESN#Cc1ccc(Cc2ncc(Cc3ccc(-n4cc(Cl)ccc4=O)nc3)[nH]2)cc1OCC(F)(F)F
InChIInChI=1S/C24H17ClF3N5O2/c25-18-4-6-23(34)33(13-18)22-5-2-16(11-31-22)7-19-12-30-21(32-19)9-15-1-3-17(10-29)20(8-15)35-14-24(26,27)28/h1-6,8,11-13H,7,9,14H2,(H,30,32)
InChIKeyVLWAYVGVNUSZJX-UHFFFAOYSA-N
XLogP4.60
TPSA96.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.88
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]-1H-imidazol-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)benzonitrile?
The IUPAC name of 4-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]-1H-imidazol-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)benzonitrile (CID 57241380) is 4-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]-1H-imidazol-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)benzonitrile.
What is the SMILES notation for 4-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]-1H-imidazol-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)benzonitrile?
The canonical SMILES for 4-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]-1H-imidazol-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)benzonitrile is N#Cc1ccc(Cc2ncc(Cc3ccc(-n4cc(Cl)ccc4=O)nc3)[nH]2)cc1OCC(F)(F)F.
What is the InChIKey of 4-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]-1H-imidazol-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)benzonitrile?
The InChIKey is VLWAYVGVNUSZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF3N5O2/c25-18-4-6-23(34)33(13-18)22-5-2-16(11-31-22)7-19-12-30-21(32-19)9-15-1-3-17(10-29)20(8-15)35-14-24(26,27)28/h1-6,8,11-13H,7,9,14H2,(H,30,32).
What are the key properties of 4-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]-1H-imidazol-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)benzonitrile?
4-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]-1H-imidazol-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)benzonitrile has a molecular weight of 499.88 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]-1H-imidazol-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)benzonitrile is sourced from PubChem (CID 57241380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).