1-[4-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]pyrrolidin-2-one

C23H17ClF2N4O3 — CID 144737557

IUPAC1-[4-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(Oc2nc3nc(OCc4c(F)cccc4F)c(Cl)cc3[nH]2)cc1
InChIInChI=1S/C23H17ClF2N4O3/c24-16-11-19-21(28-22(16)32-12-15-17(25)3-1-4-18(15)26)29-23(27-19)33-14-8-6-13(7-9-14)30-10-2-5-20(30)31/h1,3-4,6-9,11H,2,5,10,12H2,(H,27,28,29)
InChIKeyMZWZIILMJZTHCI-UHFFFAOYSA-N
MW470.86 g/mol
LogP5.39
Rot. Bonds6

About 1-[4-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]pyrrolidin-2-one

1-[4-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]pyrrolidin-2-one (PubChem CID 144737557) has the molecular formula C23H17ClF2N4O3 and a molecular weight of 470.86 g/mol. Its IUPAC name is 1-[4-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]pyrrolidin-2-one
PubChem CID144737557
Molecular FormulaC23H17ClF2N4O3
Molecular Weight470.86 g/mol
Exact Mass470.10
IUPAC Name1-[4-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(Oc2nc3nc(OCc4c(F)cccc4F)c(Cl)cc3[nH]2)cc1
InChIInChI=1S/C23H17ClF2N4O3/c24-16-11-19-21(28-22(16)32-12-15-17(25)3-1-4-18(15)26)29-23(27-19)33-14-8-6-13(7-9-14)30-10-2-5-20(30)31/h1,3-4,6-9,11H,2,5,10,12H2,(H,27,28,29)
InChIKeyMZWZIILMJZTHCI-UHFFFAOYSA-N
XLogP5.39
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.86
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]pyrrolidin-2-one with MolForge

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Related Compounds

(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
1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one
CID 26053591
1-[4-[(3,4-difluorophenyl)methoxy]phenyl]pyrrolidin-2-one
CID 141084193
6-[[2-[[(3R,3aR,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]-1-methylpyridin-2-one
CID 144737485
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(2,6-dichlorophenyl)acetate
CID 35544576
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
1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
CID 51325902
[4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2-chlorophenyl)-1H-pyrazole-5-carboxylate
CID 51114000
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-[3-[3-(2-oxopyrrolidin-1-yl)phenoxy]phenyl]pyrrolidin-2-one
CID 142760205
4-[[2-[[(3R,3aR,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-(cyclopentyl-methyl-oxo-λ6-sulfanylidene)-3,5-difluorobenzamide
CID 122420436

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]pyrrolidin-2-one (CID 144737557) is 1-[4-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(Oc2nc3nc(OCc4c(F)cccc4F)c(Cl)cc3[nH]2)cc1.
What is the InChIKey of 1-[4-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]pyrrolidin-2-one?
The InChIKey is MZWZIILMJZTHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF2N4O3/c24-16-11-19-21(28-22(16)32-12-15-17(25)3-1-4-18(15)26)29-23(27-19)33-14-8-6-13(7-9-14)30-10-2-5-20(30)31/h1,3-4,6-9,11H,2,5,10,12H2,(H,27,28,29).
What are the key properties of 1-[4-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]pyrrolidin-2-one?
1-[4-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]pyrrolidin-2-one has a molecular weight of 470.86 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-chloro-5-[(2,6-difluorophenyl)methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 144737557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).