N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetamide

C23H20F2N4O2 — CID 122445627

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetamide
SMILESC[C@H](NC(=O)COc1nc2cccnc2n1Cc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C23H20F2N4O2/c1-15(17-6-10-19(25)11-7-17)27-21(30)14-31-23-28-20-3-2-12-26-22(20)29(23)13-16-4-8-18(24)9-5-16/h2-12,15H,13-14H2,1H3,(H,27,30)/t15-/m0/s1
InChIKeyWNUWMIRQRLECKA-HNNXBMFYSA-N
MW422.44 g/mol
LogP4.01
Rot. Bonds7

About N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetamide

N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetamide (PubChem CID 122445627) has the molecular formula C23H20F2N4O2 and a molecular weight of 422.44 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetamide
PubChem CID122445627
Molecular FormulaC23H20F2N4O2
Molecular Weight422.44 g/mol
Exact Mass422.16
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetamide
SMILESC[C@H](NC(=O)COc1nc2cccnc2n1Cc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C23H20F2N4O2/c1-15(17-6-10-19(25)11-7-17)27-21(30)14-31-23-28-20-3-2-12-26-22(20)29(23)13-16-4-8-18(24)9-5-16/h2-12,15H,13-14H2,1H3,(H,27,30)/t15-/m0/s1
InChIKeyWNUWMIRQRLECKA-HNNXBMFYSA-N
XLogP4.01
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetamide 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 N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetamide (CID 122445627) is N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetamide is C[C@H](NC(=O)COc1nc2cccnc2n1Cc1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetamide?
The InChIKey is WNUWMIRQRLECKA-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H20F2N4O2/c1-15(17-6-10-19(25)11-7-17)27-21(30)14-31-23-28-20-3-2-12-26-22(20)29(23)13-16-4-8-18(24)9-5-16/h2-12,15H,13-14H2,1H3,(H,27,30)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetamide?
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetamide has a molecular weight of 422.44 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetamide is sourced from PubChem (CID 122445627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).