2-[4-[[6-chloro-5-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]acetic acid

C25H26ClN3O4 — CID 90160607

IUPAC2-[4-[[6-chloro-5-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(Oc2nc3nc(-c4ccc(C5=CCOCC5)cc4)c(Cl)cc3[nH]2)CC1
InChIInChI=1S/C25H26ClN3O4/c26-20-14-21-24(29-25(27-21)33-19-7-1-15(2-8-19)13-22(30)31)28-23(20)18-5-3-16(4-6-18)17-9-11-32-12-10-17/h3-6,9,14-15,19H,1-2,7-8,10-13H2,(H,30,31)(H,27,28,29)
InChIKeyQODHSOTVTDARRH-UHFFFAOYSA-N
MW467.95 g/mol
LogP5.49
Rot. Bonds6

About 2-[4-[[6-chloro-5-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]acetic acid

2-[4-[[6-chloro-5-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]acetic acid (PubChem CID 90160607) has the molecular formula C25H26ClN3O4 and a molecular weight of 467.95 g/mol. Its IUPAC name is 2-[4-[[6-chloro-5-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[6-chloro-5-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]acetic acid
PubChem CID90160607
Molecular FormulaC25H26ClN3O4
Molecular Weight467.95 g/mol
Exact Mass467.16
IUPAC Name2-[4-[[6-chloro-5-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(Oc2nc3nc(-c4ccc(C5=CCOCC5)cc4)c(Cl)cc3[nH]2)CC1
InChIInChI=1S/C25H26ClN3O4/c26-20-14-21-24(29-25(27-21)33-19-7-1-15(2-8-19)13-22(30)31)28-23(20)18-5-3-16(4-6-18)17-9-11-32-12-10-17/h3-6,9,14-15,19H,1-2,7-8,10-13H2,(H,30,31)(H,27,28,29)
InChIKeyQODHSOTVTDARRH-UHFFFAOYSA-N
XLogP5.49
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.95
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[6-chloro-5-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]acetic acid with MolForge

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Related Compounds

2-[4-[[5-[4-[4-[1-[2-(azetidin-1-yl)ethyl]-1,2,4-triazol-3-yl]phenyl]phenyl]-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]acetic acid
CID 168904480
2-[4-[[6-chloro-5-[4-[4-[[3-[2-(trifluoromethoxy)ethoxy]azetidin-1-yl]methyl]phenyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]acetic acid
CID 168904462
ethyl 4-[4-[6-chloro-2-(4-formylcyclohexyl)oxy-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]cyclohex-3-ene-1-carboxylate
CID 137403370
3-[[6-chloro-5-[4-(4-ethoxycarbonylcyclohexen-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutane-1-carboxylic acid
CID 90160449
2-[4-[[6-chloro-5-[4-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]-2-methylpropanoic acid
CID 90160658
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
1-[4-[4-[6-chloro-2-[(3R,4R,5R)-5-ethyl-4-fluorooxolan-3-yl]oxy-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]cyclohex-3-en-1-yl]propan-2-one
CID 159570802
4-[4-(6-chloro-2-cyclohexyloxy-1H-imidazo[4,5-b]pyridin-5-yl)phenyl]benzamide
CID 126576172
4-[[6-chloro-5-[4-[4-(oxan-4-ylcarbamoyl)phenyl]cyclohexa-1,3-dien-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexane-1-carboxylic acid
CID 138741441
(2S,4S)-4-[[6-chloro-5-(4-phenylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolane-2-carboxamide
CID 144579796
5-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-2-ol
CID 126576211
4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-N,N-dimethylpiperidine-1-carboxamide
CID 90275350

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[6-chloro-5-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[[6-chloro-5-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]acetic acid (CID 90160607) is 2-[4-[[6-chloro-5-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[[6-chloro-5-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[[6-chloro-5-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]acetic acid is O=C(O)CC1CCC(Oc2nc3nc(-c4ccc(C5=CCOCC5)cc4)c(Cl)cc3[nH]2)CC1.
What is the InChIKey of 2-[4-[[6-chloro-5-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]acetic acid?
The InChIKey is QODHSOTVTDARRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O4/c26-20-14-21-24(29-25(27-21)33-19-7-1-15(2-8-19)13-22(30)31)28-23(20)18-5-3-16(4-6-18)17-9-11-32-12-10-17/h3-6,9,14-15,19H,1-2,7-8,10-13H2,(H,30,31)(H,27,28,29).
What are the key properties of 2-[4-[[6-chloro-5-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]acetic acid?
2-[4-[[6-chloro-5-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]acetic acid has a molecular weight of 467.95 g/mol, XLogP of 5.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[6-chloro-5-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]acetic acid is sourced from PubChem (CID 90160607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).