2-[3-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutyl]oxyethanol

C19H18ClF2N3O4 — CID 144737721

IUPAC2-[3-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutyl]oxyethanol
SMILESOCCOC1CC(Oc2nc3nc(OCc4c(F)cccc4F)c(Cl)cc3[nH]2)C1
InChIInChI=1S/C19H18ClF2N3O4/c20-13-8-16-17(24-18(13)28-9-12-14(21)2-1-3-15(12)22)25-19(23-16)29-11-6-10(7-11)27-5-4-26/h1-3,8,10-11,26H,4-7,9H2,(H,23,24,25)
InChIKeyFHRXDHJJFJKAAW-UHFFFAOYSA-N
MW425.82 g/mol
LogP3.39
Rot. Bonds8

About 2-[3-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutyl]oxyethanol

2-[3-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutyl]oxyethanol (PubChem CID 144737721) has the molecular formula C19H18ClF2N3O4 and a molecular weight of 425.82 g/mol. Its IUPAC name is 2-[3-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutyl]oxyethanol.

Molecular Properties

Compound Name2-[3-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutyl]oxyethanol
PubChem CID144737721
Molecular FormulaC19H18ClF2N3O4
Molecular Weight425.82 g/mol
Exact Mass425.10
IUPAC Name2-[3-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutyl]oxyethanol
SMILESOCCOC1CC(Oc2nc3nc(OCc4c(F)cccc4F)c(Cl)cc3[nH]2)C1
InChIInChI=1S/C19H18ClF2N3O4/c20-13-8-16-17(24-18(13)28-9-12-14(21)2-1-3-15(12)22)25-19(23-16)29-11-6-10(7-11)27-5-4-26/h1-3,8,10-11,26H,4-7,9H2,(H,23,24,25)
InChIKeyFHRXDHJJFJKAAW-UHFFFAOYSA-N
XLogP3.39
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.82
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutyl]oxyethanol with MolForge

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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,4S)-4-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-3-ol
CID 86282396
(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-[5-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]-2-methylpropan-1-ol
CID 86282392
(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
1-[4-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]pyrrolidin-2-one
CID 144737557
(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
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
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
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
[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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutyl]oxyethanol?
The IUPAC name of 2-[3-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutyl]oxyethanol (CID 144737721) is 2-[3-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutyl]oxyethanol.
What is the SMILES notation for 2-[3-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutyl]oxyethanol?
The canonical SMILES for 2-[3-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutyl]oxyethanol is OCCOC1CC(Oc2nc3nc(OCc4c(F)cccc4F)c(Cl)cc3[nH]2)C1.
What is the InChIKey of 2-[3-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutyl]oxyethanol?
The InChIKey is FHRXDHJJFJKAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF2N3O4/c20-13-8-16-17(24-18(13)28-9-12-14(21)2-1-3-15(12)22)25-19(23-16)29-11-6-10(7-11)27-5-4-26/h1-3,8,10-11,26H,4-7,9H2,(H,23,24,25).
What are the key properties of 2-[3-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutyl]oxyethanol?
2-[3-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutyl]oxyethanol has a molecular weight of 425.82 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutyl]oxyethanol is sourced from PubChem (CID 144737721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).