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

C25H29N7O4 — CID 68873842

IUPAC1-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-2-methyl-4-morpholin-4-ylbutan-1-one
SMILESCCn1c(-c2nonc2N)nc2cnc(Oc3cccc(C(=O)C(C)CCN4CCOCC4)c3)cc21
InChIInChI=1S/C25H29N7O4/c1-3-32-20-14-21(27-15-19(20)28-25(32)22-24(26)30-36-29-22)35-18-6-4-5-17(13-18)23(33)16(2)7-8-31-9-11-34-12-10-31/h4-6,13-16H,3,7-12H2,1-2H3,(H2,26,30)
InChIKeyYMWRTXXNQXFFEZ-UHFFFAOYSA-N
MW491.55 g/mol
LogP3.42
Rot. Bonds9

About 1-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-2-methyl-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]-2-methyl-4-morpholin-4-ylbutan-1-one (PubChem CID 68873842) has the molecular formula C25H29N7O4 and a molecular weight of 491.55 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]-2-methyl-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]-2-methyl-4-morpholin-4-ylbutan-1-one
PubChem CID68873842
Molecular FormulaC25H29N7O4
Molecular Weight491.55 g/mol
Exact Mass491.23
IUPAC Name1-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-2-methyl-4-morpholin-4-ylbutan-1-one
SMILESCCn1c(-c2nonc2N)nc2cnc(Oc3cccc(C(=O)C(C)CCN4CCOCC4)c3)cc21
InChIInChI=1S/C25H29N7O4/c1-3-32-20-14-21(27-15-19(20)28-25(32)22-24(26)30-36-29-22)35-18-6-4-5-17(13-18)23(33)16(2)7-8-31-9-11-34-12-10-31/h4-6,13-16H,3,7-12H2,1-2H3,(H2,26,30)
InChIKeyYMWRTXXNQXFFEZ-UHFFFAOYSA-N
XLogP3.42
TPSA134.42 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.55
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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

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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]-2-methyl-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]-2-methyl-4-morpholin-4-ylbutan-1-one (CID 68873842) is 1-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-2-methyl-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]-2-methyl-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]-2-methyl-4-morpholin-4-ylbutan-1-one is CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(C(=O)C(C)CCN4CCOCC4)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]-2-methyl-4-morpholin-4-ylbutan-1-one?
The InChIKey is YMWRTXXNQXFFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O4/c1-3-32-20-14-21(27-15-19(20)28-25(32)22-24(26)30-36-29-22)35-18-6-4-5-17(13-18)23(33)16(2)7-8-31-9-11-34-12-10-31/h4-6,13-16H,3,7-12H2,1-2H3,(H2,26,30).
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]-2-methyl-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]-2-methyl-4-morpholin-4-ylbutan-1-one has a molecular weight of 491.55 g/mol, XLogP of 3.42, 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]-2-methyl-4-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 68873842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).