4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-(3-aminophenoxy)imidazo[4,5-c]pyridin-1-yl]phenol

C20H15N7O3 — CID 68873899

IUPAC4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-(3-aminophenoxy)imidazo[4,5-c]pyridin-1-yl]phenol
SMILESNc1cccc(Oc2cc3c(cn2)nc(-c2nonc2N)n3-c2ccc(O)cc2)c1
InChIInChI=1S/C20H15N7O3/c21-11-2-1-3-14(8-11)29-17-9-16-15(10-23-17)24-20(18-19(22)26-30-25-18)27(16)12-4-6-13(28)7-5-12/h1-10,28H,21H2,(H2,22,26)
InChIKeyKBUFPINZIQUIPI-UHFFFAOYSA-N
MW401.39 g/mol
LogP3.13
Rot. Bonds4

About 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-(3-aminophenoxy)imidazo[4,5-c]pyridin-1-yl]phenol

4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-(3-aminophenoxy)imidazo[4,5-c]pyridin-1-yl]phenol (PubChem CID 68873899) has the molecular formula C20H15N7O3 and a molecular weight of 401.39 g/mol. Its IUPAC name is 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-(3-aminophenoxy)imidazo[4,5-c]pyridin-1-yl]phenol.

Molecular Properties

Compound Name4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-(3-aminophenoxy)imidazo[4,5-c]pyridin-1-yl]phenol
PubChem CID68873899
Molecular FormulaC20H15N7O3
Molecular Weight401.39 g/mol
Exact Mass401.12
IUPAC Name4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-(3-aminophenoxy)imidazo[4,5-c]pyridin-1-yl]phenol
SMILESNc1cccc(Oc2cc3c(cn2)nc(-c2nonc2N)n3-c2ccc(O)cc2)c1
InChIInChI=1S/C20H15N7O3/c21-11-2-1-3-14(8-11)29-17-9-16-15(10-23-17)24-20(18-19(22)26-30-25-18)27(16)12-4-6-13(28)7-5-12/h1-10,28H,21H2,(H2,22,26)
InChIKeyKBUFPINZIQUIPI-UHFFFAOYSA-N
XLogP3.13
TPSA151.13 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-(4-hydroxyphenyl)ethyl]benzamide
CID 68872238
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-methoxyethyl)benzamide
CID 11454226
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
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
N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-[4-[2-(dimethylamino)ethoxy]phenyl]imidazo[4,5-c]pyridin-6-yl]oxyphenyl]-6-methylpyridine-3-carboxamide
CID 68873579
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
[[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
2-amino-1-[7-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-(4-fluorophenoxy)imidazo[4,5-c]pyridin-1-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 68871395
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
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
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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-(3-aminophenoxy)imidazo[4,5-c]pyridin-1-yl]phenol?
The IUPAC name of 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-(3-aminophenoxy)imidazo[4,5-c]pyridin-1-yl]phenol (CID 68873899) is 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-(3-aminophenoxy)imidazo[4,5-c]pyridin-1-yl]phenol.
What is the SMILES notation for 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-(3-aminophenoxy)imidazo[4,5-c]pyridin-1-yl]phenol?
The canonical SMILES for 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-(3-aminophenoxy)imidazo[4,5-c]pyridin-1-yl]phenol is Nc1cccc(Oc2cc3c(cn2)nc(-c2nonc2N)n3-c2ccc(O)cc2)c1.
What is the InChIKey of 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-(3-aminophenoxy)imidazo[4,5-c]pyridin-1-yl]phenol?
The InChIKey is KBUFPINZIQUIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7O3/c21-11-2-1-3-14(8-11)29-17-9-16-15(10-23-17)24-20(18-19(22)26-30-25-18)27(16)12-4-6-13(28)7-5-12/h1-10,28H,21H2,(H2,22,26).
What are the key properties of 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-(3-aminophenoxy)imidazo[4,5-c]pyridin-1-yl]phenol?
4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-(3-aminophenoxy)imidazo[4,5-c]pyridin-1-yl]phenol has a molecular weight of 401.39 g/mol, XLogP of 3.13, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-(3-aminophenoxy)imidazo[4,5-c]pyridin-1-yl]phenol is sourced from PubChem (CID 68873899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).