6-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-3-(oxan-4-yloxy)pyridine-2-carbonitrile

C27H26N6O3 — CID 118537683

IUPAC6-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-3-(oxan-4-yloxy)pyridine-2-carbonitrile
SMILESN#Cc1nc(-c2ccnc3nc(-c4ccc(N5CCOCC5)cc4)[nH]c23)ccc1OC1CCOCC1
InChIInChI=1S/C27H26N6O3/c28-17-23-24(36-20-8-13-34-14-9-20)6-5-22(30-23)21-7-10-29-27-25(21)31-26(32-27)18-1-3-19(4-2-18)33-11-15-35-16-12-33/h1-7,10,20H,8-9,11-16H2,(H,29,31,32)
InChIKeyGTWRIZZOBQZENQ-UHFFFAOYSA-N
MW482.54 g/mol
LogP3.95
Rot. Bonds5

About 6-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-3-(oxan-4-yloxy)pyridine-2-carbonitrile

6-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-3-(oxan-4-yloxy)pyridine-2-carbonitrile (PubChem CID 118537683) has the molecular formula C27H26N6O3 and a molecular weight of 482.54 g/mol. Its IUPAC name is 6-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-3-(oxan-4-yloxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-3-(oxan-4-yloxy)pyridine-2-carbonitrile
PubChem CID118537683
Molecular FormulaC27H26N6O3
Molecular Weight482.54 g/mol
Exact Mass482.21
IUPAC Name6-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-3-(oxan-4-yloxy)pyridine-2-carbonitrile
SMILESN#Cc1nc(-c2ccnc3nc(-c4ccc(N5CCOCC5)cc4)[nH]c23)ccc1OC1CCOCC1
InChIInChI=1S/C27H26N6O3/c28-17-23-24(36-20-8-13-34-14-9-20)6-5-22(30-23)21-7-10-29-27-25(21)31-26(32-27)18-1-3-19(4-2-18)33-11-15-35-16-12-33/h1-7,10,20H,8-9,11-16H2,(H,29,31,32)
InChIKeyGTWRIZZOBQZENQ-UHFFFAOYSA-N
XLogP3.95
TPSA109.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-hydroxyacetyl)pyrrolidin-3-yl]oxy-5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]benzonitrile
CID 118537640
tert-butyl (3R)-3-[2-cyano-4-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenoxy]pyrrolidine-1-carboxylate
CID 118537516
4-bromopyridine-2,3-diamine;7-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridine;5-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile
CID 157447393
formaldehyde;2-(1-methylpiperidin-4-yl)oxy-5-[8-(4-morpholin-4-ylphenyl)-7H-purin-6-yl]benzonitrile
CID 144973124
2-(oxan-4-yloxy)-5-[8-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-7H-purin-6-yl]benzonitrile
CID 118537734
2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 140538831
5-[2-(4-morpholin-4-ylphenyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile
CID 71679191
2-[(3R)-1-[(2S)-2-hydroxypropanoyl]pyrrolidin-3-yl]oxy-5-[8-(4-morpholin-4-ylphenyl)-7H-purin-6-yl]benzonitrile
CID 118537407
2-[4-(2-hydroxypropanoyl)cyclohexyl]oxy-5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-yl]benzonitrile
CID 118552176
5-[3-ethenyl-2-[(4-morpholin-4-ylphenyl)methylamino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile
CID 118563775
5-[2-(3-morpholin-4-ylphenyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile
CID 71664625
5-[2-[(2-morpholin-4-yl-4-pyridinyl)amino]pyrimidin-4-yl]-2-(oxan-4-yloxy)benzonitrile
CID 66571150

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-3-(oxan-4-yloxy)pyridine-2-carbonitrile?
The IUPAC name of 6-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-3-(oxan-4-yloxy)pyridine-2-carbonitrile (CID 118537683) is 6-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-3-(oxan-4-yloxy)pyridine-2-carbonitrile.
What is the SMILES notation for 6-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-3-(oxan-4-yloxy)pyridine-2-carbonitrile?
The canonical SMILES for 6-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-3-(oxan-4-yloxy)pyridine-2-carbonitrile is N#Cc1nc(-c2ccnc3nc(-c4ccc(N5CCOCC5)cc4)[nH]c23)ccc1OC1CCOCC1.
What is the InChIKey of 6-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-3-(oxan-4-yloxy)pyridine-2-carbonitrile?
The InChIKey is GTWRIZZOBQZENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O3/c28-17-23-24(36-20-8-13-34-14-9-20)6-5-22(30-23)21-7-10-29-27-25(21)31-26(32-27)18-1-3-19(4-2-18)33-11-15-35-16-12-33/h1-7,10,20H,8-9,11-16H2,(H,29,31,32).
What are the key properties of 6-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-3-(oxan-4-yloxy)pyridine-2-carbonitrile?
6-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-3-(oxan-4-yloxy)pyridine-2-carbonitrile has a molecular weight of 482.54 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-3-(oxan-4-yloxy)pyridine-2-carbonitrile is sourced from PubChem (CID 118537683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).