4-[1-[4-(3-methylbutoxy)phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine

C19H20N6O2 — CID 59681820

IUPAC4-[1-[4-(3-methylbutoxy)phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCC(C)CCOc1ccc(-n2c(-c3nonc3N)nc3cnccc32)cc1
InChIInChI=1S/C19H20N6O2/c1-12(2)8-10-26-14-5-3-13(4-6-14)25-16-7-9-21-11-15(16)22-19(25)17-18(20)24-27-23-17/h3-7,9,11-12H,8,10H2,1-2H3,(H2,20,24)
InChIKeyCAVGFFUKEMKKMI-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.48
Rot. Bonds6

About 4-[1-[4-(3-methylbutoxy)phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine

4-[1-[4-(3-methylbutoxy)phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 59681820) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-[1-[4-(3-methylbutoxy)phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[1-[4-(3-methylbutoxy)phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID59681820
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name4-[1-[4-(3-methylbutoxy)phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCC(C)CCOc1ccc(-n2c(-c3nonc3N)nc3cnccc32)cc1
InChIInChI=1S/C19H20N6O2/c1-12(2)8-10-26-14-5-3-13(4-6-14)25-16-7-9-21-11-15(16)22-19(25)17-18(20)24-27-23-17/h3-7,9,11-12H,8,10H2,1-2H3,(H2,20,24)
InChIKeyCAVGFFUKEMKKMI-UHFFFAOYSA-N
XLogP3.48
TPSA104.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[1-[4-[2-(methylsulfonylmethylamino)ethoxy]phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 11258931
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
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-(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
(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
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
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-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
4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 53216173
2-methyl-1-[4-(3-propan-2-ylphenoxy)phenyl]imidazo[4,5-c]pyridine
CID 21307192

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(3-methylbutoxy)phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[1-[4-(3-methylbutoxy)phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (CID 59681820) is 4-[1-[4-(3-methylbutoxy)phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[1-[4-(3-methylbutoxy)phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[1-[4-(3-methylbutoxy)phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is CC(C)CCOc1ccc(-n2c(-c3nonc3N)nc3cnccc32)cc1.
What is the InChIKey of 4-[1-[4-(3-methylbutoxy)phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is CAVGFFUKEMKKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-12(2)8-10-26-14-5-3-13(4-6-14)25-16-7-9-21-11-15(16)22-19(25)17-18(20)24-27-23-17/h3-7,9,11-12H,8,10H2,1-2H3,(H2,20,24).
What are the key properties of 4-[1-[4-(3-methylbutoxy)phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
4-[1-[4-(3-methylbutoxy)phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 364.41 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(3-methylbutoxy)phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 59681820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).