2-[5-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]-2-methylpropan-1-ol

C22H19ClF2N4O3 — CID 86282392

IUPAC2-[5-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]-2-methylpropan-1-ol
SMILESCC(C)(CO)c1ccc(Oc2nc3nc(OCc4c(F)cccc4F)c(Cl)cc3[nH]2)cn1
InChIInChI=1S/C22H19ClF2N4O3/c1-22(2,11-30)18-7-6-12(9-26-18)32-21-27-17-8-14(23)20(28-19(17)29-21)31-10-13-15(24)4-3-5-16(13)25/h3-9,30H,10-11H2,1-2H3,(H,27,28,29)
InChIKeySYCYJIGEHFKWEO-UHFFFAOYSA-N
MW460.87 g/mol
LogP4.93
Rot. Bonds7

About 2-[5-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]-2-methylpropan-1-ol

2-[5-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]-2-methylpropan-1-ol (PubChem CID 86282392) has the molecular formula C22H19ClF2N4O3 and a molecular weight of 460.87 g/mol. Its IUPAC name is 2-[5-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[5-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]-2-methylpropan-1-ol
PubChem CID86282392
Molecular FormulaC22H19ClF2N4O3
Molecular Weight460.87 g/mol
Exact Mass460.11
IUPAC Name2-[5-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]-2-methylpropan-1-ol
SMILESCC(C)(CO)c1ccc(Oc2nc3nc(OCc4c(F)cccc4F)c(Cl)cc3[nH]2)cn1
InChIInChI=1S/C22H19ClF2N4O3/c1-22(2,11-30)18-7-6-12(9-26-18)32-21-27-17-8-14(23)20(28-19(17)29-21)31-10-13-15(24)4-3-5-16(13)25/h3-9,30H,10-11H2,1-2H3,(H,27,28,29)
InChIKeySYCYJIGEHFKWEO-UHFFFAOYSA-N
XLogP4.93
TPSA93.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.87
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[5-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]-2-methylpropan-1-ol with MolForge

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Related Compounds

N-[2-[5-[[6-chloro-5-[(2,6-difluorophenyl)methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide
CID 130391315
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,4S)-4-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-3-ol
CID 86282396
2-[3-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutyl]oxyethanol
CID 144737721
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
(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,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
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
(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

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]-2-methylpropan-1-ol?
The IUPAC name of 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) is 2-[5-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[5-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[5-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]-2-methylpropan-1-ol is CC(C)(CO)c1ccc(Oc2nc3nc(OCc4c(F)cccc4F)c(Cl)cc3[nH]2)cn1.
What is the InChIKey of 2-[5-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]-2-methylpropan-1-ol?
The InChIKey is SYCYJIGEHFKWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF2N4O3/c1-22(2,11-30)18-7-6-12(9-26-18)32-21-27-17-8-14(23)20(28-19(17)29-21)31-10-13-15(24)4-3-5-16(13)25/h3-9,30H,10-11H2,1-2H3,(H,27,28,29).
What are the key properties of 2-[5-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]-2-methylpropan-1-ol?
2-[5-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]-2-methylpropan-1-ol has a molecular weight of 460.87 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]-2-methylpropan-1-ol is sourced from PubChem (CID 86282392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).