4-[7-[4-(aminomethyl)phenyl]-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine

C17H17N7O — CID 57399141

IUPAC4-[7-[4-(aminomethyl)phenyl]-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCCn1c(-c2nonc2N)nc2cncc(-c3ccc(CN)cc3)c21
InChIInChI=1S/C17H17N7O/c1-2-24-15-12(11-5-3-10(7-18)4-6-11)8-20-9-13(15)21-17(24)14-16(19)23-25-22-14/h3-6,8-9H,2,7,18H2,1H3,(H2,19,23)
InChIKeyOOUZCKZPQVKRHO-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.21
Rot. Bonds4

About 4-[7-[4-(aminomethyl)phenyl]-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine

4-[7-[4-(aminomethyl)phenyl]-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 57399141) has the molecular formula C17H17N7O and a molecular weight of 335.37 g/mol. Its IUPAC name is 4-[7-[4-(aminomethyl)phenyl]-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[7-[4-(aminomethyl)phenyl]-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID57399141
Molecular FormulaC17H17N7O
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name4-[7-[4-(aminomethyl)phenyl]-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCCn1c(-c2nonc2N)nc2cncc(-c3ccc(CN)cc3)c21
InChIInChI=1S/C17H17N7O/c1-2-24-15-12(11-5-3-10(7-18)4-6-11)8-20-9-13(15)21-17(24)14-16(19)23-25-22-14/h3-6,8-9H,2,7,18H2,1H3,(H2,19,23)
InChIKeyOOUZCKZPQVKRHO-UHFFFAOYSA-N
XLogP2.21
TPSA121.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[7-[4-(aminomethyl)phenyl]-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[7-[4-(aminomethyl)phenyl]-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (CID 57399141) is 4-[7-[4-(aminomethyl)phenyl]-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[7-[4-(aminomethyl)phenyl]-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[7-[4-(aminomethyl)phenyl]-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is CCn1c(-c2nonc2N)nc2cncc(-c3ccc(CN)cc3)c21.
What is the InChIKey of 4-[7-[4-(aminomethyl)phenyl]-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is OOUZCKZPQVKRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O/c1-2-24-15-12(11-5-3-10(7-18)4-6-11)8-20-9-13(15)21-17(24)14-16(19)23-25-22-14/h3-6,8-9H,2,7,18H2,1H3,(H2,19,23).
What are the key properties of 4-[7-[4-(aminomethyl)phenyl]-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
4-[7-[4-(aminomethyl)phenyl]-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 335.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[4-(aminomethyl)phenyl]-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 57399141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).