(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

C19H16ClF2N3O6 — CID 144737428

IUPAC(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
SMILESOC1OC2[C@H](O)CO[C@@H]2[C@@H]1Oc1nc2nc(OCc3c(F)cccc3F)c(Cl)cc2[nH]1
InChIInChI=1S/C19H16ClF2N3O6/c20-8-4-11-16(24-17(8)29-5-7-9(21)2-1-3-10(7)22)25-19(23-11)31-15-14-13(30-18(15)27)12(26)6-28-14/h1-4,12-15,18,26-27H,5-6H2,(H,23,24,25)/t12-,13?,14+,15+,18?/m1/s1
InChIKeyACNZRJWLJOFBDJ-MAKNJDEBSA-N
MW455.80 g/mol
LogP1.69
Rot. Bonds5

About (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

(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 (PubChem CID 144737428) has the molecular formula C19H16ClF2N3O6 and a molecular weight of 455.80 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID144737428
Molecular FormulaC19H16ClF2N3O6
Molecular Weight455.80 g/mol
Exact Mass455.07
IUPAC Name(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
SMILESOC1OC2[C@H](O)CO[C@@H]2[C@@H]1Oc1nc2nc(OCc3c(F)cccc3F)c(Cl)cc2[nH]1
InChIInChI=1S/C19H16ClF2N3O6/c20-8-4-11-16(24-17(8)29-5-7-9(21)2-1-3-10(7)22)25-19(23-11)31-15-14-13(30-18(15)27)12(26)6-28-14/h1-4,12-15,18,26-27H,5-6H2,(H,23,24,25)/t12-,13?,14+,15+,18?/m1/s1
InChIKeyACNZRJWLJOFBDJ-MAKNJDEBSA-N
XLogP1.69
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.80
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

(3R,4S)-4-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-3-ol
CID 86282396
(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
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
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
2-[3-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutyl]oxyethanol
CID 144737721
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
(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
(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
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
(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-[[2-[[(3S,6R,6aS)-3-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]oxymethyl]-3,5-difluoro-N-(2-hydroxyethyl)benzamide
CID 144737386

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is OC1OC2[C@H](O)CO[C@@H]2[C@@H]1Oc1nc2nc(OCc3c(F)cccc3F)c(Cl)cc2[nH]1.
What is the InChIKey of (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?
The InChIKey is ACNZRJWLJOFBDJ-MAKNJDEBSA-N. The full InChI is InChI=1S/C19H16ClF2N3O6/c20-8-4-11-16(24-17(8)29-5-7-9(21)2-1-3-10(7)22)25-19(23-11)31-15-14-13(30-18(15)27)12(26)6-28-14/h1-4,12-15,18,26-27H,5-6H2,(H,23,24,25)/t12-,13?,14+,15+,18?/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 455.80 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 144737428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).