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

C24H19ClFN3O3 — CID 123868371

IUPAC2-(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
SMILESFc1cccc(-c2ccc(-c3nc4nc(OC5COC6CCOC65)[nH]c4cc3Cl)cc2)c1
InChIInChI=1S/C24H19ClFN3O3/c25-17-11-18-23(29-24(27-18)32-20-12-31-19-8-9-30-22(19)20)28-21(17)14-6-4-13(5-7-14)15-2-1-3-16(26)10-15/h1-7,10-11,19-20,22H,8-9,12H2,(H,27,28,29)
InChIKeyZIYZAHCJIDZMGG-UHFFFAOYSA-N
MW451.89 g/mol
LogP5.02
Rot. Bonds4

About 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

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 (PubChem CID 123868371) has the molecular formula C24H19ClFN3O3 and a molecular weight of 451.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID123868371
Molecular FormulaC24H19ClFN3O3
Molecular Weight451.89 g/mol
Exact Mass451.11
IUPAC Name2-(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
SMILESFc1cccc(-c2ccc(-c3nc4nc(OC5COC6CCOC65)[nH]c4cc3Cl)cc2)c1
InChIInChI=1S/C24H19ClFN3O3/c25-17-11-18-23(29-24(27-18)32-20-12-31-19-8-9-30-22(19)20)28-21(17)14-6-4-13(5-7-14)15-2-1-3-16(26)10-15/h1-7,10-11,19-20,22H,8-9,12H2,(H,27,28,29)
InChIKeyZIYZAHCJIDZMGG-UHFFFAOYSA-N
XLogP5.02
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.89
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

2-[[(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-[6-(4-fluorophenyl)-3-pyridinyl]-1H-imidazo[4,5-b]pyridine
CID 138508876
2-[[(3aR,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-pyridin-4-yl-1H-imidazo[4,5-b]pyridine
CID 90067478
2-[[(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-[4-[4-(oxan-4-yl)phenyl]phenyl]-1H-imidazo[4,5-b]pyridine
CID 138508909
1-[4-[4-[2-[[(3aR,6aS)-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]phenyl]-1,2,4-triazole-3,5-diamine
CID 138508765
2-[4-[2-[[(3aR,6aS)-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 138508658
2-[[(3aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1H-imidazo[4,5-b]pyridine
CID 138508701
3-[4-[4-[2-[[(3aR,6R,6aS)-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]phenyl]-4H-1,2,4-oxadiazol-5-one
CID 136625855
2-[[(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridine
CID 138509005
5-[4-[4-[2-[[(3aR,6aS)-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]phenyl]-1-methylimidazol-2-amine
CID 138508652
6-[4-[2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 123216889
1-[4-[2-[[(3aR,6aS)-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]cyclopropane-1-carbonitrile
CID 138508854
2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-6-chloro-5-[4-(2H-tetrazol-5-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine
CID 123375901

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Fc1cccc(-c2ccc(-c3nc4nc(OC5COC6CCOC65)[nH]c4cc3Cl)cc2)c1.
What is the InChIKey of 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?
The InChIKey is ZIYZAHCJIDZMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN3O3/c25-17-11-18-23(29-24(27-18)32-20-12-31-19-8-9-30-22(19)20)28-21(17)14-6-4-13(5-7-14)15-2-1-3-16(26)10-15/h1-7,10-11,19-20,22H,8-9,12H2,(H,27,28,29).
What are the key properties of 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?
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 has a molecular weight of 451.89 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123868371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).