3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-methoxyethyl)benzamide

C24H21N7O4 — CID 11454226

IUPAC3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(Oc2cc3c(cn2)nc(-c2nonc2N)n3-c2ccccc2)c1
InChIInChI=1S/C24H21N7O4/c1-33-11-10-26-24(32)15-6-5-9-17(12-15)34-20-13-19-18(14-27-20)28-23(21-22(25)30-35-29-21)31(19)16-7-3-2-4-8-16/h2-9,12-14H,10-11H2,1H3,(H2,25,30)(H,26,32)
InChIKeyHPWBPTHNPQDKGL-UHFFFAOYSA-N
MW471.48 g/mol
LogP3.22
Rot. Bonds8

About 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-methoxyethyl)benzamide

3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-methoxyethyl)benzamide (PubChem CID 11454226) has the molecular formula C24H21N7O4 and a molecular weight of 471.48 g/mol. Its IUPAC name is 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-methoxyethyl)benzamide
PubChem CID11454226
Molecular FormulaC24H21N7O4
Molecular Weight471.48 g/mol
Exact Mass471.17
IUPAC Name3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(Oc2cc3c(cn2)nc(-c2nonc2N)n3-c2ccccc2)c1
InChIInChI=1S/C24H21N7O4/c1-33-11-10-26-24(32)15-6-5-9-17(12-15)34-20-13-19-18(14-27-20)28-23(21-22(25)30-35-29-21)31(19)16-7-3-2-4-8-16/h2-9,12-14H,10-11H2,1H3,(H2,25,30)(H,26,32)
InChIKeyHPWBPTHNPQDKGL-UHFFFAOYSA-N
XLogP3.22
TPSA143.21 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.48
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-[2-(1-methylpyrrol-2-yl)ethyl]benzamide
CID 68872441
3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(cyclopropylmethyl)benzamide
CID 68873444
3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 68872238
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
4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-(3-aminophenoxy)imidazo[4,5-c]pyridin-1-yl]phenol
CID 68873899
3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-piperidin-4-ylimidazo[4,5-c]pyridin-6-yl]oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 68871988
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
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-[4-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzamide
CID 69278172
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
N-(2-methoxyethyl)-6-phenoxypyridine-3-carboxamide
CID 87000425
3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide
CID 122516140
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

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-methoxyethyl)benzamide?
The IUPAC name of 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) is 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1cccc(Oc2cc3c(cn2)nc(-c2nonc2N)n3-c2ccccc2)c1.
What is the InChIKey of 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-methoxyethyl)benzamide?
The InChIKey is HPWBPTHNPQDKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O4/c1-33-11-10-26-24(32)15-6-5-9-17(12-15)34-20-13-19-18(14-27-20)28-23(21-22(25)30-35-29-21)31(19)16-7-3-2-4-8-16/h2-9,12-14H,10-11H2,1H3,(H2,25,30)(H,26,32).
What are the key properties of 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-methoxyethyl)benzamide?
3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-methoxyethyl)benzamide has a molecular weight of 471.48 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 11454226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).