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

C16H22N8O3S — CID 11258275

IUPAC4-[7-[4-(aminomethyl)piperidin-1-yl]sulfonyl-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCCn1c(-c2nonc2N)nc2cncc(S(=O)(=O)N3CCC(CN)CC3)c21
InChIInChI=1S/C16H22N8O3S/c1-2-24-14-11(20-16(24)13-15(18)22-27-21-13)8-19-9-12(14)28(25,26)23-5-3-10(7-17)4-6-23/h8-10H,2-7,17H2,1H3,(H2,18,22)
InChIKeyJFRLTTMNLXVMKJ-UHFFFAOYSA-N
MW406.47 g/mol
LogP0.44
Rot. Bonds5

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

4-[7-[4-(aminomethyl)piperidin-1-yl]sulfonyl-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 11258275) has the molecular formula C16H22N8O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is 4-[7-[4-(aminomethyl)piperidin-1-yl]sulfonyl-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[7-[4-(aminomethyl)piperidin-1-yl]sulfonyl-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID11258275
Molecular FormulaC16H22N8O3S
Molecular Weight406.47 g/mol
Exact Mass406.15
IUPAC Name4-[7-[4-(aminomethyl)piperidin-1-yl]sulfonyl-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCCn1c(-c2nonc2N)nc2cncc(S(=O)(=O)N3CCC(CN)CC3)c21
InChIInChI=1S/C16H22N8O3S/c1-2-24-14-11(20-16(24)13-15(18)22-27-21-13)8-19-9-12(14)28(25,26)23-5-3-10(7-17)4-6-23/h8-10H,2-7,17H2,1H3,(H2,18,22)
InChIKeyJFRLTTMNLXVMKJ-UHFFFAOYSA-N
XLogP0.44
TPSA159.05 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[7-[4-(aminomethyl)piperidin-1-yl]sulfonyl-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[7-[4-(aminomethyl)piperidin-1-yl]sulfonyl-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (CID 11258275) is 4-[7-[4-(aminomethyl)piperidin-1-yl]sulfonyl-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[7-[4-(aminomethyl)piperidin-1-yl]sulfonyl-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[7-[4-(aminomethyl)piperidin-1-yl]sulfonyl-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is CCn1c(-c2nonc2N)nc2cncc(S(=O)(=O)N3CCC(CN)CC3)c21.
What is the InChIKey of 4-[7-[4-(aminomethyl)piperidin-1-yl]sulfonyl-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is JFRLTTMNLXVMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N8O3S/c1-2-24-14-11(20-16(24)13-15(18)22-27-21-13)8-19-9-12(14)28(25,26)23-5-3-10(7-17)4-6-23/h8-10H,2-7,17H2,1H3,(H2,18,22).
What are the key properties of 4-[7-[4-(aminomethyl)piperidin-1-yl]sulfonyl-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
4-[7-[4-(aminomethyl)piperidin-1-yl]sulfonyl-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 406.47 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[4-(aminomethyl)piperidin-1-yl]sulfonyl-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 11258275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).