5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-piperidin-4-yloxybenzonitrile

C28H28N6O2 — CID 118537531

IUPAC5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-piperidin-4-yloxybenzonitrile
SMILESN#Cc1cc(-c2ccnc3nc(-c4ccc(N5CCOCC5)cc4)[nH]c23)ccc1OC1CCNCC1
InChIInChI=1S/C28H28N6O2/c29-18-21-17-20(3-6-25(21)36-23-7-10-30-11-8-23)24-9-12-31-28-26(24)32-27(33-28)19-1-4-22(5-2-19)34-13-15-35-16-14-34/h1-6,9,12,17,23,30H,7-8,10-11,13-16H2,(H,31,32,33)
InChIKeyDBYUFBCKJUKDEA-UHFFFAOYSA-N
MW480.57 g/mol
LogP4.13
Rot. Bonds5

About 5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-piperidin-4-yloxybenzonitrile

5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-piperidin-4-yloxybenzonitrile (PubChem CID 118537531) has the molecular formula C28H28N6O2 and a molecular weight of 480.57 g/mol. Its IUPAC name is 5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-piperidin-4-yloxybenzonitrile.

Molecular Properties

Compound Name5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-piperidin-4-yloxybenzonitrile
PubChem CID118537531
Molecular FormulaC28H28N6O2
Molecular Weight480.57 g/mol
Exact Mass480.23
IUPAC Name5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-piperidin-4-yloxybenzonitrile
SMILESN#Cc1cc(-c2ccnc3nc(-c4ccc(N5CCOCC5)cc4)[nH]c23)ccc1OC1CCNCC1
InChIInChI=1S/C28H28N6O2/c29-18-21-17-20(3-6-25(21)36-23-7-10-30-11-8-23)24-9-12-31-28-26(24)32-27(33-28)19-1-4-22(5-2-19)34-13-15-35-16-14-34/h1-6,9,12,17,23,30H,7-8,10-11,13-16H2,(H,31,32,33)
InChIKeyDBYUFBCKJUKDEA-UHFFFAOYSA-N
XLogP4.13
TPSA99.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Related Compounds

Gdc-0425
CID 58266779
4-((2-((4-Cyanophenyl)amino)-7h-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)-3,5-dimethylbenzonitrile
CID 57693582
1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
N~3~-[5-(1H-Indol-6-YL)-2-(pyridin-2-ylmethoxy)benzyl]pyridine-2,3-diamine
CID 11633167
4-(2-(4-Cyanophenylamino)-5H-pyrrolo[3,2-d]pyrimidin-4-yloxy)-3,5-dimethylbenzonitrile
CID 11954403
3-(1H-indol-5-yl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179289
1-[2-(4-Benzyl-phenoxy)-ethyl]-1H-imidazo[4,5-b]pyridine-5-carbonitrile
CID 11725669
2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-(2-phenylethoxy)-1H-imidazo[4,5-b]pyridine
CID 10172593
2-[2,3'']Bipyridinyl-6''-yl-1-(2,3-dihydro-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-beta-carboline
CID 10203901
2-(2-Butoxy-phenyl)-3H-imidazo[4,5-b]pyridine
CID 10423102
1-[2-(4-Benzyl-phenoxy)-ethyl]-1H-imidazo[4,5-b]pyridine
CID 18678241
2-(chroman-3-yl)-6-(pyridin-4-yl)-1H-benzo[d]imidazole
CID 44563186

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-piperidin-4-yloxybenzonitrile?
The IUPAC name of 5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-piperidin-4-yloxybenzonitrile (CID 118537531) is 5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-piperidin-4-yloxybenzonitrile.
What is the SMILES notation for 5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-piperidin-4-yloxybenzonitrile?
The canonical SMILES for 5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-piperidin-4-yloxybenzonitrile is N#Cc1cc(-c2ccnc3nc(-c4ccc(N5CCOCC5)cc4)[nH]c23)ccc1OC1CCNCC1.
What is the InChIKey of 5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-piperidin-4-yloxybenzonitrile?
The InChIKey is DBYUFBCKJUKDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O2/c29-18-21-17-20(3-6-25(21)36-23-7-10-30-11-8-23)24-9-12-31-28-26(24)32-27(33-28)19-1-4-22(5-2-19)34-13-15-35-16-14-34/h1-6,9,12,17,23,30H,7-8,10-11,13-16H2,(H,31,32,33).
What are the key properties of 5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-piperidin-4-yloxybenzonitrile?
5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-piperidin-4-yloxybenzonitrile has a molecular weight of 480.57 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-piperidin-4-yloxybenzonitrile is sourced from PubChem (CID 118537531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).