(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

C23H21ClF3N3O7 — CID 144737379

IUPAC(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
SMILESO[C@@H]1COC2C1OC[C@H]2Oc1nc2nc(OCc3c(F)cc(OCC4(F)COC4)cc3F)c(Cl)cc2[nH]1
InChIInChI=1S/C23H21ClF3N3O7/c24-12-3-15-20(30-22(28-15)37-17-6-34-18-16(31)5-33-19(17)18)29-21(12)35-4-11-13(25)1-10(2-14(11)26)36-9-23(27)7-32-8-23/h1-3,16-19,31H,4-9H2,(H,28,29,30)/t16-,17-,18?,19?/m1/s1
InChIKeyHWBPTBNRMYBPQE-YYZRRKBYSA-N
MW543.88 g/mol
LogP2.49
Rot. Bonds8

About (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

(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 (PubChem CID 144737379) has the molecular formula C23H21ClF3N3O7 and a molecular weight of 543.88 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID144737379
Molecular FormulaC23H21ClF3N3O7
Molecular Weight543.88 g/mol
Exact Mass543.10
IUPAC Name(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
SMILESO[C@@H]1COC2C1OC[C@H]2Oc1nc2nc(OCc3c(F)cc(OCC4(F)COC4)cc3F)c(Cl)cc2[nH]1
InChIInChI=1S/C23H21ClF3N3O7/c24-12-3-15-20(30-22(28-15)37-17-6-34-18-16(31)5-33-19(17)18)29-21(12)35-4-11-13(25)1-10(2-14(11)26)36-9-23(27)7-32-8-23/h1-3,16-19,31H,4-9H2,(H,28,29,30)/t16-,17-,18?,19?/m1/s1
InChIKeyHWBPTBNRMYBPQE-YYZRRKBYSA-N
XLogP2.49
TPSA117.18 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.88
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

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
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
[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
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
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]-N-cyclopropyl-3,5-difluoro-N-methylbenzamide;ethane;propane
CID 144737666
(3R,3aR,6R,6aR)-6-[[6-chloro-5-[(3,5-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 144737793
(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
[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-difluorophenyl]-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 144737580
(3R,6R)-6-[[6-chloro-5-(1,3-thiazol-5-ylmethoxy)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 144737384
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-difluoro-N-(2-methoxypropyl)benzamide
CID 144737486

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is O[C@@H]1COC2C1OC[C@H]2Oc1nc2nc(OCc3c(F)cc(OCC4(F)COC4)cc3F)c(Cl)cc2[nH]1.
What is the InChIKey of (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?
The InChIKey is HWBPTBNRMYBPQE-YYZRRKBYSA-N. The full InChI is InChI=1S/C23H21ClF3N3O7/c24-12-3-15-20(30-22(28-15)37-17-6-34-18-16(31)5-33-19(17)18)29-21(12)35-4-11-13(25)1-10(2-14(11)26)36-9-23(27)7-32-8-23/h1-3,16-19,31H,4-9H2,(H,28,29,30)/t16-,17-,18?,19?/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 543.88 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 144737379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).