(3R,4S)-4-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-3-ol

C17H14ClF2N3O4 — CID 86282396

IUPAC(3R,4S)-4-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-3-ol
SMILESO[C@@H]1COC[C@@H]1Oc1nc2nc(OCc3c(F)cccc3F)c(Cl)cc2[nH]1
InChIInChI=1S/C17H14ClF2N3O4/c18-9-4-12-15(23-17(21-12)27-14-7-25-6-13(14)24)22-16(9)26-5-8-10(19)2-1-3-11(8)20/h1-4,13-14,24H,5-7H2,(H,21,22,23)/t13-,14+/m1/s1
InChIKeyVTFJEMZUMPRFGI-KGLIPLIRSA-N
MW397.77 g/mol
LogP2.61
Rot. Bonds5

About (3R,4S)-4-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-3-ol

(3R,4S)-4-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-3-ol (PubChem CID 86282396) has the molecular formula C17H14ClF2N3O4 and a molecular weight of 397.77 g/mol. Its IUPAC name is (3R,4S)-4-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-3-ol
PubChem CID86282396
Molecular FormulaC17H14ClF2N3O4
Molecular Weight397.77 g/mol
Exact Mass397.06
IUPAC Name(3R,4S)-4-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-3-ol
SMILESO[C@@H]1COC[C@@H]1Oc1nc2nc(OCc3c(F)cccc3F)c(Cl)cc2[nH]1
InChIInChI=1S/C17H14ClF2N3O4/c18-9-4-12-15(23-17(21-12)27-14-7-25-6-13(14)24)22-16(9)26-5-8-10(19)2-1-3-11(8)20/h1-4,13-14,24H,5-7H2,(H,21,22,23)/t13-,14+/m1/s1
InChIKeyVTFJEMZUMPRFGI-KGLIPLIRSA-N
XLogP2.61
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.77
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R,4S)-4-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-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

2-[(2R,4R)-4-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-2-yl]ethanol
CID 144737476
(3R,6S,6aS)-6-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,5-diol
CID 144737428
2-[3-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutyl]oxyethanol
CID 144737721
(3R,6R,6aR)-6-[[6-chloro-5-[(2-fluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 144737641
acetylene;(3R,6R)-6-[[6-chloro-5-[(4-chloro-2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;ethene
CID 144737669
(3R,6R)-6-[[6-chloro-5-[[2,6-difluoro-4-(trifluoromethyl)phenyl]methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 144737655
(3R,6R)-6-[[6-chloro-5-[[2,6-difluoro-4-[(3-fluorooxetan-3-yl)methoxy]phenyl]methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 144737379
4-[[6-chloro-2-[[(3R,6R)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-1H-imidazo[4,5-b]pyridin-5-yl]oxymethyl]-N-ethyl-3,5-difluorobenzamide
CID 144737689
2-[4-[[2-[[(3R,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]oxymethyl]-3,5-difluorophenoxy]acetamide
CID 144737562
1-[4-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]pyrrolidin-2-one
CID 144737557
[4-[[6-chloro-2-[[(3R,6R)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-1H-imidazo[4,5-b]pyridin-5-yl]oxymethyl]-3,5-difluorophenyl]-(2-oxa-7-azaspiro[3.5]nonan-7-yl)methanone
CID 144737541
(3R,6R)-6-[[6-chloro-5-[[2,6-difluoro-4-(1,3-thiazol-2-yl)phenyl]methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 144737618

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-3-ol?
The IUPAC name of (3R,4S)-4-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-3-ol (CID 86282396) is (3R,4S)-4-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-3-ol.
What is the SMILES notation for (3R,4S)-4-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-3-ol?
The canonical SMILES for (3R,4S)-4-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-3-ol is O[C@@H]1COC[C@@H]1Oc1nc2nc(OCc3c(F)cccc3F)c(Cl)cc2[nH]1.
What is the InChIKey of (3R,4S)-4-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-3-ol?
The InChIKey is VTFJEMZUMPRFGI-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H14ClF2N3O4/c18-9-4-12-15(23-17(21-12)27-14-7-25-6-13(14)24)22-16(9)26-5-8-10(19)2-1-3-11(8)20/h1-4,13-14,24H,5-7H2,(H,21,22,23)/t13-,14+/m1/s1.
What are the key properties of (3R,4S)-4-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-3-ol?
(3R,4S)-4-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-3-ol has a molecular weight of 397.77 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-3-ol is sourced from PubChem (CID 86282396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).