4-[4-(6-chloro-2-cyclohexyloxy-1H-imidazo[4,5-b]pyridin-5-yl)phenyl]benzamide

C25H23ClN4O2 — CID 126576172

IUPAC4-[4-(6-chloro-2-cyclohexyloxy-1H-imidazo[4,5-b]pyridin-5-yl)phenyl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(-c3nc4nc(OC5CCCCC5)[nH]c4cc3Cl)cc2)cc1
InChIInChI=1S/C25H23ClN4O2/c26-20-14-21-24(30-25(28-21)32-19-4-2-1-3-5-19)29-22(20)17-10-6-15(7-11-17)16-8-12-18(13-9-16)23(27)31/h6-14,19H,1-5H2,(H2,27,31)(H,28,29,30)
InChIKeyDJAKEATYINVDGP-UHFFFAOYSA-N
MW446.94 g/mol
LogP5.76
Rot. Bonds5

About 4-[4-(6-chloro-2-cyclohexyloxy-1H-imidazo[4,5-b]pyridin-5-yl)phenyl]benzamide

4-[4-(6-chloro-2-cyclohexyloxy-1H-imidazo[4,5-b]pyridin-5-yl)phenyl]benzamide (PubChem CID 126576172) has the molecular formula C25H23ClN4O2 and a molecular weight of 446.94 g/mol. Its IUPAC name is 4-[4-(6-chloro-2-cyclohexyloxy-1H-imidazo[4,5-b]pyridin-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-[4-(6-chloro-2-cyclohexyloxy-1H-imidazo[4,5-b]pyridin-5-yl)phenyl]benzamide
PubChem CID126576172
Molecular FormulaC25H23ClN4O2
Molecular Weight446.94 g/mol
Exact Mass446.15
IUPAC Name4-[4-(6-chloro-2-cyclohexyloxy-1H-imidazo[4,5-b]pyridin-5-yl)phenyl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(-c3nc4nc(OC5CCCCC5)[nH]c4cc3Cl)cc2)cc1
InChIInChI=1S/C25H23ClN4O2/c26-20-14-21-24(30-25(28-21)32-19-4-2-1-3-5-19)29-22(20)17-10-6-15(7-11-17)16-8-12-18(13-9-16)23(27)31/h6-14,19H,1-5H2,(H2,27,31)(H,28,29,30)
InChIKeyDJAKEATYINVDGP-UHFFFAOYSA-N
XLogP5.76
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.94
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-4-[[6-chloro-5-(4-phenylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolane-2-carboxamide
CID 144579796
4-[4-[2-[3-(azetidine-1-carbonyl)cyclobutyl]oxy-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]benzoic acid
CID 90160608
4-[4-[6-chloro-2-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclohexyl]oxy-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]-N-methylbenzamide
CID 121458813
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
4-[[6-chloro-5-[4-[4-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]phenyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexane-1-carboxylic acid
CID 168904478
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-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]acetic acid
CID 90160607
4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-N,N-dimethylpiperidine-1-carboxamide
CID 90275350
(3R,3aR,6R,6aR)-6-[[6-chloro-5-(4-cyclopropyloxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 118424719
4-[4-[6-chloro-2-[1-(2-methylpropanoyl)piperidin-4-yl]oxy-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]cyclohexane-1-carboxylic acid
CID 90160567
(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
3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutan-1-amine
CID 90160685

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-chloro-2-cyclohexyloxy-1H-imidazo[4,5-b]pyridin-5-yl)phenyl]benzamide?
The IUPAC name of 4-[4-(6-chloro-2-cyclohexyloxy-1H-imidazo[4,5-b]pyridin-5-yl)phenyl]benzamide (CID 126576172) is 4-[4-(6-chloro-2-cyclohexyloxy-1H-imidazo[4,5-b]pyridin-5-yl)phenyl]benzamide.
What is the SMILES notation for 4-[4-(6-chloro-2-cyclohexyloxy-1H-imidazo[4,5-b]pyridin-5-yl)phenyl]benzamide?
The canonical SMILES for 4-[4-(6-chloro-2-cyclohexyloxy-1H-imidazo[4,5-b]pyridin-5-yl)phenyl]benzamide is NC(=O)c1ccc(-c2ccc(-c3nc4nc(OC5CCCCC5)[nH]c4cc3Cl)cc2)cc1.
What is the InChIKey of 4-[4-(6-chloro-2-cyclohexyloxy-1H-imidazo[4,5-b]pyridin-5-yl)phenyl]benzamide?
The InChIKey is DJAKEATYINVDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O2/c26-20-14-21-24(30-25(28-21)32-19-4-2-1-3-5-19)29-22(20)17-10-6-15(7-11-17)16-8-12-18(13-9-16)23(27)31/h6-14,19H,1-5H2,(H2,27,31)(H,28,29,30).
What are the key properties of 4-[4-(6-chloro-2-cyclohexyloxy-1H-imidazo[4,5-b]pyridin-5-yl)phenyl]benzamide?
4-[4-(6-chloro-2-cyclohexyloxy-1H-imidazo[4,5-b]pyridin-5-yl)phenyl]benzamide has a molecular weight of 446.94 g/mol, XLogP of 5.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-chloro-2-cyclohexyloxy-1H-imidazo[4,5-b]pyridin-5-yl)phenyl]benzamide is sourced from PubChem (CID 126576172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).