3-methyl-2-piperazin-1-yl-5H-imidazo[4,5-c]pyridin-4-one

C11H15N5O — CID 59424075

IUPAC3-methyl-2-piperazin-1-yl-5H-imidazo[4,5-c]pyridin-4-one
SMILESCn1c(N2CCNCC2)nc2cc[nH]c(=O)c21
InChIInChI=1S/C11H15N5O/c1-15-9-8(2-3-13-10(9)17)14-11(15)16-6-4-12-5-7-16/h2-3,12H,4-7H2,1H3,(H,13,17)
InChIKeySSZMYPMKCREBRA-UHFFFAOYSA-N
MW233.27 g/mol
LogP-0.33
Rot. Bonds1

About 3-methyl-2-piperazin-1-yl-5H-imidazo[4,5-c]pyridin-4-one

3-methyl-2-piperazin-1-yl-5H-imidazo[4,5-c]pyridin-4-one (PubChem CID 59424075) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-methyl-2-piperazin-1-yl-5H-imidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name3-methyl-2-piperazin-1-yl-5H-imidazo[4,5-c]pyridin-4-one
PubChem CID59424075
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name3-methyl-2-piperazin-1-yl-5H-imidazo[4,5-c]pyridin-4-one
SMILESCn1c(N2CCNCC2)nc2cc[nH]c(=O)c21
InChIInChI=1S/C11H15N5O/c1-15-9-8(2-3-13-10(9)17)14-11(15)16-6-4-12-5-7-16/h2-3,12H,4-7H2,1H3,(H,13,17)
InChIKeySSZMYPMKCREBRA-UHFFFAOYSA-N
XLogP-0.33
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-piperazin-1-yl-5H-imidazo[4,5-c]pyridin-4-one?
The IUPAC name of 3-methyl-2-piperazin-1-yl-5H-imidazo[4,5-c]pyridin-4-one (CID 59424075) is 3-methyl-2-piperazin-1-yl-5H-imidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 3-methyl-2-piperazin-1-yl-5H-imidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 3-methyl-2-piperazin-1-yl-5H-imidazo[4,5-c]pyridin-4-one is Cn1c(N2CCNCC2)nc2cc[nH]c(=O)c21.
What is the InChIKey of 3-methyl-2-piperazin-1-yl-5H-imidazo[4,5-c]pyridin-4-one?
The InChIKey is SSZMYPMKCREBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-15-9-8(2-3-13-10(9)17)14-11(15)16-6-4-12-5-7-16/h2-3,12H,4-7H2,1H3,(H,13,17).
What are the key properties of 3-methyl-2-piperazin-1-yl-5H-imidazo[4,5-c]pyridin-4-one?
3-methyl-2-piperazin-1-yl-5H-imidazo[4,5-c]pyridin-4-one has a molecular weight of 233.27 g/mol, XLogP of -0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-piperazin-1-yl-5H-imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 59424075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).