N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]oxyphenyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxamide

C28H29N9O5 — CID 90926040

IUPACN-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]oxyphenyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxamide
SMILESCCn1c(-c2nonc2N)nc2c(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)nc4)c3)nccc21
InChIInChI=1S/C28H29N9O5/c1-2-37-21-8-9-30-28(23(21)33-26(37)24-25(29)35-42-34-24)41-20-5-3-4-19(16-20)32-27(38)18-6-7-22(31-17-18)40-15-12-36-10-13-39-14-11-36/h3-9,16-17H,2,10-15H2,1H3,(H2,29,35)(H,32,38)
InChIKeyGDLOFRAXZFJOEE-UHFFFAOYSA-N
MW571.60 g/mol
LogP3.23
Rot. Bonds10

About N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]oxyphenyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxamide

N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]oxyphenyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxamide (PubChem CID 90926040) has the molecular formula C28H29N9O5 and a molecular weight of 571.60 g/mol. Its IUPAC name is N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]oxyphenyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]oxyphenyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxamide
PubChem CID90926040
Molecular FormulaC28H29N9O5
Molecular Weight571.60 g/mol
Exact Mass571.23
IUPAC NameN-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]oxyphenyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxamide
SMILESCCn1c(-c2nonc2N)nc2c(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)nc4)c3)nccc21
InChIInChI=1S/C28H29N9O5/c1-2-37-21-8-9-30-28(23(21)33-26(37)24-25(29)35-42-34-24)41-20-5-3-4-19(16-20)32-27(38)18-6-7-22(31-17-18)40-15-12-36-10-13-39-14-11-36/h3-9,16-17H,2,10-15H2,1H3,(H2,29,35)(H,32,38)
InChIKeyGDLOFRAXZFJOEE-UHFFFAOYSA-N
XLogP3.23
TPSA168.57 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.60
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]oxyphenyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxamide with MolForge

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Related Compounds

Gsk-269962A
CID 16095342
N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-(morpholin-4-yl)benzamide
CID 16099846
N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-[(dimethylamino)methyl]benzamide
CID 16099847
N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-[2-(dimethylamino)ethoxy]benzamide
CID 16099848
N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-(aminomethyl)benzamide
CID 16099860
N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 16099861
N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)benzamide
CID 11339681
N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)acetamide
CID 16099844
N-(3-((2-(4-Amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl)oxy)phenyl)-4-(dimethylamino)benzamide
CID 16099859
N-hydroxy-2-[[2-(6-methoxy-3-pyridinyl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxamide
CID 122648600
GSK3 Inhibitor, 2
CID 70701949
N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(3-piperidin-1-ylpropoxy)benzamide
CID 44529191

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]oxyphenyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]oxyphenyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxamide (CID 90926040) is N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]oxyphenyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]oxyphenyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]oxyphenyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxamide is CCn1c(-c2nonc2N)nc2c(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)nc4)c3)nccc21.
What is the InChIKey of N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]oxyphenyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxamide?
The InChIKey is GDLOFRAXZFJOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N9O5/c1-2-37-21-8-9-30-28(23(21)33-26(37)24-25(29)35-42-34-24)41-20-5-3-4-19(16-20)32-27(38)18-6-7-22(31-17-18)40-15-12-36-10-13-39-14-11-36/h3-9,16-17H,2,10-15H2,1H3,(H2,29,35)(H,32,38).
What are the key properties of N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]oxyphenyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxamide?
N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]oxyphenyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxamide has a molecular weight of 571.60 g/mol, XLogP of 3.23, 10 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]oxyphenyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 90926040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).