1-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-morpholin-4-ylbutan-1-one

C24H27N7O4 — CID 68870307

IUPAC1-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-morpholin-4-ylbutan-1-one
SMILESCCn1c(-c2nonc2N)nc2cnc(Oc3cccc(C(=O)CCCN4CCOCC4)c3)cc21
InChIInChI=1S/C24H27N7O4/c1-2-31-19-14-21(26-15-18(19)27-24(31)22-23(25)29-35-28-22)34-17-6-3-5-16(13-17)20(32)7-4-8-30-9-11-33-12-10-30/h3,5-6,13-15H,2,4,7-12H2,1H3,(H2,25,29)
InChIKeyAFKBRAWKHLIIPV-UHFFFAOYSA-N
MW477.53 g/mol
LogP3.17
Rot. Bonds9

About 1-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-morpholin-4-ylbutan-1-one

1-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-morpholin-4-ylbutan-1-one (PubChem CID 68870307) has the molecular formula C24H27N7O4 and a molecular weight of 477.53 g/mol. Its IUPAC name is 1-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name1-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-morpholin-4-ylbutan-1-one
PubChem CID68870307
Molecular FormulaC24H27N7O4
Molecular Weight477.53 g/mol
Exact Mass477.21
IUPAC Name1-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-morpholin-4-ylbutan-1-one
SMILESCCn1c(-c2nonc2N)nc2cnc(Oc3cccc(C(=O)CCCN4CCOCC4)c3)cc21
InChIInChI=1S/C24H27N7O4/c1-2-31-19-14-21(26-15-18(19)27-24(31)22-23(25)29-35-28-22)34-17-6-3-5-16(13-17)20(32)7-4-8-30-9-11-33-12-10-30/h3,5-6,13-15H,2,4,7-12H2,1H3,(H2,25,29)
InChIKeyAFKBRAWKHLIIPV-UHFFFAOYSA-N
XLogP3.17
TPSA134.42 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.53
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Related Compounds

4-[1-ethyl-6-[3-(3-morpholin-4-ylpropoxy)phenoxy]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 68872168
3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-N-[2-(1,1-dihydroxy-1,4-thiazinan-4-yl)ethyl]benzamide
CID 68872118
3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(2-methyl-4-pyridinyl)imidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzamide
CID 68872548
N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 44529204
5-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-1,3-dimethylbenzimidazol-2-one
CID 68872396
3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-N-[4-[2-(dimethylamino)ethyl]phenyl]benzamide
CID 68871403
N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-3-fluoro-4-methoxybenzamide
CID 68873043
N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-2-methylphenyl]acetamide
CID 68871426
[[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]sulfonyl-(2-morpholin-4-ylethyl)amino] nitrite
CID 87625242
3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-methoxyethyl)benzamide
CID 11454226
4-[1-(2-methylpropyl)-5-(3-morpholin-4-ylpropoxy)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 59011565
methyl 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(1H-indazol-5-yl)imidazo[4,5-c]pyridin-6-yl]oxybenzoate
CID 68875483

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-morpholin-4-ylbutan-1-one?
The IUPAC name of 1-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-morpholin-4-ylbutan-1-one (CID 68870307) is 1-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 1-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-morpholin-4-ylbutan-1-one?
The canonical SMILES for 1-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-morpholin-4-ylbutan-1-one is CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(C(=O)CCCN4CCOCC4)c3)cc21.
What is the InChIKey of 1-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-morpholin-4-ylbutan-1-one?
The InChIKey is AFKBRAWKHLIIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O4/c1-2-31-19-14-21(26-15-18(19)27-24(31)22-23(25)29-35-28-22)34-17-6-3-5-16(13-17)20(32)7-4-8-30-9-11-33-12-10-30/h3,5-6,13-15H,2,4,7-12H2,1H3,(H2,25,29).
What are the key properties of 1-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-morpholin-4-ylbutan-1-one?
1-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-morpholin-4-ylbutan-1-one has a molecular weight of 477.53 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 68870307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).