4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-1-fluorocyclohexane-1-carboxylic acid

C23H24ClFN4O4 — CID 90160599

IUPAC4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-1-fluorocyclohexane-1-carboxylic acid
SMILESO=C(O)C1(F)CCC(Oc2nc3nc(-c4ccc(N5CCOCC5)cc4)c(Cl)cc3[nH]2)CC1
InChIInChI=1S/C23H24ClFN4O4/c24-17-13-18-20(28-22(26-18)33-16-5-7-23(25,8-6-16)21(30)31)27-19(17)14-1-3-15(4-2-14)29-9-11-32-12-10-29/h1-4,13,16H,5-12H2,(H,30,31)(H,26,27,28)
InChIKeyHBCNPFGRZMOREI-UHFFFAOYSA-N
MW474.92 g/mol
LogP4.23
Rot. Bonds5

About 4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-1-fluorocyclohexane-1-carboxylic acid

4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-1-fluorocyclohexane-1-carboxylic acid (PubChem CID 90160599) has the molecular formula C23H24ClFN4O4 and a molecular weight of 474.92 g/mol. Its IUPAC name is 4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-1-fluorocyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-1-fluorocyclohexane-1-carboxylic acid
PubChem CID90160599
Molecular FormulaC23H24ClFN4O4
Molecular Weight474.92 g/mol
Exact Mass474.15
IUPAC Name4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-1-fluorocyclohexane-1-carboxylic acid
SMILESO=C(O)C1(F)CCC(Oc2nc3nc(-c4ccc(N5CCOCC5)cc4)c(Cl)cc3[nH]2)CC1
InChIInChI=1S/C23H24ClFN4O4/c24-17-13-18-20(28-22(26-18)33-16-5-7-23(25,8-6-16)21(30)31)27-19(17)14-1-3-15(4-2-14)29-9-11-32-12-10-29/h1-4,13,16H,5-12H2,(H,30,31)(H,26,27,28)
InChIKeyHBCNPFGRZMOREI-UHFFFAOYSA-N
XLogP4.23
TPSA100.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.92
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-1-fluorocyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-1-fluorocyclohexane-1-carboxylic acid (CID 90160599) is 4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-1-fluorocyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-1-fluorocyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-1-fluorocyclohexane-1-carboxylic acid is O=C(O)C1(F)CCC(Oc2nc3nc(-c4ccc(N5CCOCC5)cc4)c(Cl)cc3[nH]2)CC1.
What is the InChIKey of 4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-1-fluorocyclohexane-1-carboxylic acid?
The InChIKey is HBCNPFGRZMOREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O4/c24-17-13-18-20(28-22(26-18)33-16-5-7-23(25,8-6-16)21(30)31)27-19(17)14-1-3-15(4-2-14)29-9-11-32-12-10-29/h1-4,13,16H,5-12H2,(H,30,31)(H,26,27,28).
What are the key properties of 4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-1-fluorocyclohexane-1-carboxylic acid?
4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-1-fluorocyclohexane-1-carboxylic acid has a molecular weight of 474.92 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-1-fluorocyclohexane-1-carboxylic acid is sourced from PubChem (CID 90160599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).