5-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-1-methylpiperidin-2-one

C13H20N6O — CID 79300481

IUPAC5-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-1-methylpiperidin-2-one
SMILESCCc1nn(C)c2c1nc(N)n2C1CCC(=O)N(C)C1
InChIInChI=1S/C13H20N6O/c1-4-9-11-12(18(3)16-9)19(13(14)15-11)8-5-6-10(20)17(2)7-8/h8H,4-7H2,1-3H3,(H2,14,15)
InChIKeyKPLSFDQCSZRSMK-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.71
Rot. Bonds2

About 5-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-1-methylpiperidin-2-one

5-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-1-methylpiperidin-2-one (PubChem CID 79300481) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-1-methylpiperidin-2-one
PubChem CID79300481
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name5-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-1-methylpiperidin-2-one
SMILESCCc1nn(C)c2c1nc(N)n2C1CCC(=O)N(C)C1
InChIInChI=1S/C13H20N6O/c1-4-9-11-12(18(3)16-9)19(13(14)15-11)8-5-6-10(20)17(2)7-8/h8H,4-7H2,1-3H3,(H2,14,15)
InChIKeyKPLSFDQCSZRSMK-UHFFFAOYSA-N
XLogP0.71
TPSA81.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-1-methylpiperidin-2-one?
The IUPAC name of 5-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-1-methylpiperidin-2-one (CID 79300481) is 5-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-1-methylpiperidin-2-one.
What is the SMILES notation for 5-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-1-methylpiperidin-2-one?
The canonical SMILES for 5-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-1-methylpiperidin-2-one is CCc1nn(C)c2c1nc(N)n2C1CCC(=O)N(C)C1.
What is the InChIKey of 5-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-1-methylpiperidin-2-one?
The InChIKey is KPLSFDQCSZRSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-4-9-11-12(18(3)16-9)19(13(14)15-11)8-5-6-10(20)17(2)7-8/h8H,4-7H2,1-3H3,(H2,14,15).
What are the key properties of 5-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-1-methylpiperidin-2-one?
5-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-1-methylpiperidin-2-one has a molecular weight of 276.34 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-1-methylpiperidin-2-one is sourced from PubChem (CID 79300481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).