4-[1-methyl-7-[(piperidin-4-ylamino)methyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine

C15H20N8O — CID 59681806

IUPAC4-[1-methyl-7-[(piperidin-4-ylamino)methyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCn1c(-c2nonc2N)nc2cncc(CNC3CCNCC3)c21
InChIInChI=1S/C15H20N8O/c1-23-13-9(7-19-10-2-4-17-5-3-10)6-18-8-11(13)20-15(23)12-14(16)22-24-21-12/h6,8,10,17,19H,2-5,7H2,1H3,(H2,16,22)
InChIKeyLWSZJWHDMFZXQY-UHFFFAOYSA-N
MW328.38 g/mol
LogP0.44
Rot. Bonds4

About 4-[1-methyl-7-[(piperidin-4-ylamino)methyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine

4-[1-methyl-7-[(piperidin-4-ylamino)methyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 59681806) has the molecular formula C15H20N8O and a molecular weight of 328.38 g/mol. Its IUPAC name is 4-[1-methyl-7-[(piperidin-4-ylamino)methyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[1-methyl-7-[(piperidin-4-ylamino)methyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID59681806
Molecular FormulaC15H20N8O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Name4-[1-methyl-7-[(piperidin-4-ylamino)methyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCn1c(-c2nonc2N)nc2cncc(CNC3CCNCC3)c21
InChIInChI=1S/C15H20N8O/c1-23-13-9(7-19-10-2-4-17-5-3-10)6-18-8-11(13)20-15(23)12-14(16)22-24-21-12/h6,8,10,17,19H,2-5,7H2,1H3,(H2,16,22)
InChIKeyLWSZJWHDMFZXQY-UHFFFAOYSA-N
XLogP0.44
TPSA119.71 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-7-[(piperidin-4-ylamino)methyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[1-methyl-7-[(piperidin-4-ylamino)methyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (CID 59681806) is 4-[1-methyl-7-[(piperidin-4-ylamino)methyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[1-methyl-7-[(piperidin-4-ylamino)methyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[1-methyl-7-[(piperidin-4-ylamino)methyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is Cn1c(-c2nonc2N)nc2cncc(CNC3CCNCC3)c21.
What is the InChIKey of 4-[1-methyl-7-[(piperidin-4-ylamino)methyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is LWSZJWHDMFZXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N8O/c1-23-13-9(7-19-10-2-4-17-5-3-10)6-18-8-11(13)20-15(23)12-14(16)22-24-21-12/h6,8,10,17,19H,2-5,7H2,1H3,(H2,16,22).
What are the key properties of 4-[1-methyl-7-[(piperidin-4-ylamino)methyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
4-[1-methyl-7-[(piperidin-4-ylamino)methyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 328.38 g/mol, XLogP of 0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-7-[(piperidin-4-ylamino)methyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 59681806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).