5-[[6-chloro-5-[2-(4-pyrazol-1-ylphenyl)ethynyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol

C23H20ClN5O4 — CID 123811539

IUPAC5-[[6-chloro-5-[2-(4-pyrazol-1-ylphenyl)ethynyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol
SMILESOCC1OCC(Oc2nc3nc(C#Cc4ccc(-n5cccn5)cc4)c(Cl)cc3[nH]2)CC1O
InChIInChI=1S/C23H20ClN5O4/c24-17-11-19-22(28-23(27-19)33-16-10-20(31)21(12-30)32-13-16)26-18(17)7-4-14-2-5-15(6-3-14)29-9-1-8-25-29/h1-3,5-6,8-9,11,16,20-21,30-31H,10,12-13H2,(H,26,27,28)
InChIKeyPDQDLCGEZLOMLO-UHFFFAOYSA-N
MW465.90 g/mol
LogP2.09
Rot. Bonds4

About 5-[[6-chloro-5-[2-(4-pyrazol-1-ylphenyl)ethynyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol

5-[[6-chloro-5-[2-(4-pyrazol-1-ylphenyl)ethynyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol (PubChem CID 123811539) has the molecular formula C23H20ClN5O4 and a molecular weight of 465.90 g/mol. Its IUPAC name is 5-[[6-chloro-5-[2-(4-pyrazol-1-ylphenyl)ethynyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol.

Molecular Properties

Compound Name5-[[6-chloro-5-[2-(4-pyrazol-1-ylphenyl)ethynyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol
PubChem CID123811539
Molecular FormulaC23H20ClN5O4
Molecular Weight465.90 g/mol
Exact Mass465.12
IUPAC Name5-[[6-chloro-5-[2-(4-pyrazol-1-ylphenyl)ethynyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol
SMILESOCC1OCC(Oc2nc3nc(C#Cc4ccc(-n5cccn5)cc4)c(Cl)cc3[nH]2)CC1O
InChIInChI=1S/C23H20ClN5O4/c24-17-11-19-22(28-23(27-19)33-16-10-20(31)21(12-30)32-13-16)26-18(17)7-4-14-2-5-15(6-3-14)29-9-1-8-25-29/h1-3,5-6,8-9,11,16,20-21,30-31H,10,12-13H2,(H,26,27,28)
InChIKeyPDQDLCGEZLOMLO-UHFFFAOYSA-N
XLogP2.09
TPSA118.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.90
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-[[6-chloro-5-[2-(4-pyrazol-1-ylphenyl)ethynyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S,5R)-5-[[6-chloro-5-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol
CID 90077343
[4-[[6-chloro-5-[4-(4-pyrazol-1-ylphenyl)phenyl]-1H-benzimidazol-2-yl]oxy]oxolan-2-yl]methanol
CID 123178462
(2R,3S,5R)-5-[[6-chloro-5-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol
CID 90077308
5-[[6-chloro-5-[4-(3-methylsulfonylazetidin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol
CID 123770443
(2R,3S,5R)-5-[[6-chloro-5-[4-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol
CID 90077442
4-[4-[4-[6-chloro-2-[5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]phenyl]butanoic acid
CID 123540507
5-[[6-chloro-5-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol
CID 123900262
(3S,5R)-5-[[6-chloro-5-[2-fluoro-4-(oxetan-3-yloxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol
CID 138567602
(2R,3S,5R)-5-[[6-chloro-5-[4-(3-methylsulfonylpyrrolidin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol
CID 90077443
(2R,3S,5R)-5-[[6-chloro-5-[4-(4-propylsulfonylphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol
CID 90077322
5-[[6-chloro-5-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol
CID 123727357
2-[4-[4-[6-chloro-2-[(3R,5S,6S)-6-(hydroxymethyl)-5-methyloxan-3-yl]oxy-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]phenyl]-1H-1,2,4-triazol-5-one
CID 121458823

Frequently Asked Questions

What is the IUPAC name of 5-[[6-chloro-5-[2-(4-pyrazol-1-ylphenyl)ethynyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol?
The IUPAC name of 5-[[6-chloro-5-[2-(4-pyrazol-1-ylphenyl)ethynyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol (CID 123811539) is 5-[[6-chloro-5-[2-(4-pyrazol-1-ylphenyl)ethynyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol.
What is the SMILES notation for 5-[[6-chloro-5-[2-(4-pyrazol-1-ylphenyl)ethynyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol?
The canonical SMILES for 5-[[6-chloro-5-[2-(4-pyrazol-1-ylphenyl)ethynyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol is OCC1OCC(Oc2nc3nc(C#Cc4ccc(-n5cccn5)cc4)c(Cl)cc3[nH]2)CC1O.
What is the InChIKey of 5-[[6-chloro-5-[2-(4-pyrazol-1-ylphenyl)ethynyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol?
The InChIKey is PDQDLCGEZLOMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O4/c24-17-11-19-22(28-23(27-19)33-16-10-20(31)21(12-30)32-13-16)26-18(17)7-4-14-2-5-15(6-3-14)29-9-1-8-25-29/h1-3,5-6,8-9,11,16,20-21,30-31H,10,12-13H2,(H,26,27,28).
What are the key properties of 5-[[6-chloro-5-[2-(4-pyrazol-1-ylphenyl)ethynyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol?
5-[[6-chloro-5-[2-(4-pyrazol-1-ylphenyl)ethynyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol has a molecular weight of 465.90 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-chloro-5-[2-(4-pyrazol-1-ylphenyl)ethynyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-(hydroxymethyl)oxan-3-ol is sourced from PubChem (CID 123811539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).