(NE)-N-[1-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)imidazo[4,5-c]pyridin-1-yl]phenyl]ethylidene]hydroxylamine

C16H13N7O2 — CID 87717556

IUPAC(NE)-N-[1-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)imidazo[4,5-c]pyridin-1-yl]phenyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc(-n2c(-c3nonc3N)nc3cnccc32)cc1
InChIInChI=1S/C16H13N7O2/c1-9(20-24)10-2-4-11(5-3-10)23-13-6-7-18-8-12(13)19-16(23)14-15(17)22-25-21-14/h2-8,24H,1H3,(H2,17,22)/b20-9+
InChIKeyQUKJWQUKBLAVAV-AWQFTUOYSA-N
MW335.33 g/mol
LogP2.25
Rot. Bonds3

About (NE)-N-[1-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)imidazo[4,5-c]pyridin-1-yl]phenyl]ethylidene]hydroxylamine

(NE)-N-[1-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)imidazo[4,5-c]pyridin-1-yl]phenyl]ethylidene]hydroxylamine (PubChem CID 87717556) has the molecular formula C16H13N7O2 and a molecular weight of 335.33 g/mol. Its IUPAC name is (NE)-N-[1-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)imidazo[4,5-c]pyridin-1-yl]phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)imidazo[4,5-c]pyridin-1-yl]phenyl]ethylidene]hydroxylamine
PubChem CID87717556
Molecular FormulaC16H13N7O2
Molecular Weight335.33 g/mol
Exact Mass335.11
IUPAC Name(NE)-N-[1-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)imidazo[4,5-c]pyridin-1-yl]phenyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc(-n2c(-c3nonc3N)nc3cnccc32)cc1
InChIInChI=1S/C16H13N7O2/c1-9(20-24)10-2-4-11(5-3-10)23-13-6-7-18-8-12(13)19-16(23)14-15(17)22-25-21-14/h2-8,24H,1H3,(H2,17,22)/b20-9+
InChIKeyQUKJWQUKBLAVAV-AWQFTUOYSA-N
XLogP2.25
TPSA128.24 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)imidazo[4,5-c]pyridin-1-yl]phenyl]propanamide
CID 142809032
2-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)imidazo[4,5-c]pyridin-1-yl]phenoxy]-N,N-dimethylacetamide
CID 69158799
4-[1-[4-(3-methylbutoxy)phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 59681820
2-[2-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)imidazo[4,5-c]pyridin-1-yl]phenoxy]ethyl-methylamino]acetic acid
CID 11350364
4-[1-[4-[2-(methylsulfonylmethylamino)ethoxy]phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 11258931
4-[1-[4-(2-bromoethoxy)phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid
CID 69198907
4-[1-[4-(pyrrolidin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 69158204
4-(1-butan-2-ylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
CID 69158193
4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-(3-aminophenoxy)imidazo[4,5-c]pyridin-1-yl]phenol
CID 68873899
2-amino-1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethanone;dihydrochloride
CID 67867992
ethyl (E)-3-hydroxy-3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-nitrosoprop-2-enoate
CID 135455657
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

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)imidazo[4,5-c]pyridin-1-yl]phenyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)imidazo[4,5-c]pyridin-1-yl]phenyl]ethylidene]hydroxylamine (CID 87717556) is (NE)-N-[1-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)imidazo[4,5-c]pyridin-1-yl]phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)imidazo[4,5-c]pyridin-1-yl]phenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)imidazo[4,5-c]pyridin-1-yl]phenyl]ethylidene]hydroxylamine is C/C(=N\O)c1ccc(-n2c(-c3nonc3N)nc3cnccc32)cc1.
What is the InChIKey of (NE)-N-[1-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)imidazo[4,5-c]pyridin-1-yl]phenyl]ethylidene]hydroxylamine?
The InChIKey is QUKJWQUKBLAVAV-AWQFTUOYSA-N. The full InChI is InChI=1S/C16H13N7O2/c1-9(20-24)10-2-4-11(5-3-10)23-13-6-7-18-8-12(13)19-16(23)14-15(17)22-25-21-14/h2-8,24H,1H3,(H2,17,22)/b20-9+.
What are the key properties of (NE)-N-[1-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)imidazo[4,5-c]pyridin-1-yl]phenyl]ethylidene]hydroxylamine?
(NE)-N-[1-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)imidazo[4,5-c]pyridin-1-yl]phenyl]ethylidene]hydroxylamine has a molecular weight of 335.33 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)imidazo[4,5-c]pyridin-1-yl]phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 87717556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).