[4-[[6-chloro-5-[4-(3-fluorophenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3-methyloxolan-2-yl]methanol

C24H21ClFN3O3 — CID 123483831

IUPAC[4-[[6-chloro-5-[4-(3-fluorophenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3-methyloxolan-2-yl]methanol
SMILESCC1C(CO)OCC1Oc1nc2nc(-c3ccc(-c4cccc(F)c4)cc3)c(Cl)cc2[nH]1
InChIInChI=1S/C24H21ClFN3O3/c1-13-20(11-30)31-12-21(13)32-24-27-19-10-18(25)22(28-23(19)29-24)15-7-5-14(6-8-15)16-3-2-4-17(26)9-16/h2-10,13,20-21,30H,11-12H2,1H3,(H,27,28,29)
InChIKeyASSCKDABZXIGIH-UHFFFAOYSA-N
MW453.90 g/mol
LogP4.86
Rot. Bonds5

About [4-[[6-chloro-5-[4-(3-fluorophenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3-methyloxolan-2-yl]methanol

[4-[[6-chloro-5-[4-(3-fluorophenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3-methyloxolan-2-yl]methanol (PubChem CID 123483831) has the molecular formula C24H21ClFN3O3 and a molecular weight of 453.90 g/mol. Its IUPAC name is [4-[[6-chloro-5-[4-(3-fluorophenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3-methyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[4-[[6-chloro-5-[4-(3-fluorophenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3-methyloxolan-2-yl]methanol
PubChem CID123483831
Molecular FormulaC24H21ClFN3O3
Molecular Weight453.90 g/mol
Exact Mass453.13
IUPAC Name[4-[[6-chloro-5-[4-(3-fluorophenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3-methyloxolan-2-yl]methanol
SMILESCC1C(CO)OCC1Oc1nc2nc(-c3ccc(-c4cccc(F)c4)cc3)c(Cl)cc2[nH]1
InChIInChI=1S/C24H21ClFN3O3/c1-13-20(11-30)31-12-21(13)32-24-27-19-10-18(25)22(28-23(19)29-24)15-7-5-14(6-8-15)16-3-2-4-17(26)9-16/h2-10,13,20-21,30H,11-12H2,1H3,(H,27,28,29)
InChIKeyASSCKDABZXIGIH-UHFFFAOYSA-N
XLogP4.86
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.90
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-[[6-chloro-5-[4-(2-fluorophenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-(hydroxymethyl)oxolan-3-ol
CID 144579788
2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-6-chloro-5-[4-(3-fluorophenyl)phenyl]-1H-imidazo[4,5-b]pyridine
CID 123868371
[(3R,4R)-4-[[6-chloro-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3-fluorooxolan-2-yl]methanol
CID 145403780
(3R,3aR,6R,6aR)-6-[[6-chloro-5-(4-phenylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;acetylene;ethanol
CID 144579716
2-[(3aR,6R,6aS)-6-[[6-chloro-5-(4-phenylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]ethanol
CID 90067257
(3R,6R,6aR)-6-[[5-[4-[4-(aminomethyl)phenyl]phenyl]-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 145017322
(3R,3aR,6R,6aR)-6-[[6-chloro-5-[4-(4-chlorophenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 90067556
(3R,3aR,6R,6aR)-6-[[6-chloro-5-[4-(2,3-difluorophenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 118424616
2-[4-[4-[6-chloro-2-[(3R,5S,6S)-6-(hydroxymethyl)-5-methyloxan-3-yl]oxy-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]phenyl]-1H-pyrimidin-6-one
CID 121458822
4-[[6-chloro-5-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-(hydroxymethyl)oxolan-3-ol
CID 123487025
2-[(3aR,6R,6aS)-6-[[6-chloro-5-(4-phenylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]acetic acid
CID 118413231
4-[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]phenyl]benzonitrile
CID 86684742

Frequently Asked Questions

What is the IUPAC name of [4-[[6-chloro-5-[4-(3-fluorophenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3-methyloxolan-2-yl]methanol?
The IUPAC name of [4-[[6-chloro-5-[4-(3-fluorophenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3-methyloxolan-2-yl]methanol (CID 123483831) is [4-[[6-chloro-5-[4-(3-fluorophenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3-methyloxolan-2-yl]methanol.
What is the SMILES notation for [4-[[6-chloro-5-[4-(3-fluorophenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3-methyloxolan-2-yl]methanol?
The canonical SMILES for [4-[[6-chloro-5-[4-(3-fluorophenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3-methyloxolan-2-yl]methanol is CC1C(CO)OCC1Oc1nc2nc(-c3ccc(-c4cccc(F)c4)cc3)c(Cl)cc2[nH]1.
What is the InChIKey of [4-[[6-chloro-5-[4-(3-fluorophenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3-methyloxolan-2-yl]methanol?
The InChIKey is ASSCKDABZXIGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN3O3/c1-13-20(11-30)31-12-21(13)32-24-27-19-10-18(25)22(28-23(19)29-24)15-7-5-14(6-8-15)16-3-2-4-17(26)9-16/h2-10,13,20-21,30H,11-12H2,1H3,(H,27,28,29).
What are the key properties of [4-[[6-chloro-5-[4-(3-fluorophenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3-methyloxolan-2-yl]methanol?
[4-[[6-chloro-5-[4-(3-fluorophenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3-methyloxolan-2-yl]methanol has a molecular weight of 453.90 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[6-chloro-5-[4-(3-fluorophenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3-methyloxolan-2-yl]methanol is sourced from PubChem (CID 123483831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).