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

C12H17N5O — CID 59424011

IUPAC3-methyl-2-(4-methylpiperazin-1-yl)-5H-imidazo[4,5-c]pyridin-4-one
SMILESCN1CCN(c2nc3cc[nH]c(=O)c3n2C)CC1
InChIInChI=1S/C12H17N5O/c1-15-5-7-17(8-6-15)12-14-9-3-4-13-11(18)10(9)16(12)2/h3-4H,5-8H2,1-2H3,(H,13,18)
InChIKeyCHAPSBLTBKGLNW-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.01
Rot. Bonds1

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

3-methyl-2-(4-methylpiperazin-1-yl)-5H-imidazo[4,5-c]pyridin-4-one (PubChem CID 59424011) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-methyl-2-(4-methylpiperazin-1-yl)-5H-imidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name3-methyl-2-(4-methylpiperazin-1-yl)-5H-imidazo[4,5-c]pyridin-4-one
PubChem CID59424011
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name3-methyl-2-(4-methylpiperazin-1-yl)-5H-imidazo[4,5-c]pyridin-4-one
SMILESCN1CCN(c2nc3cc[nH]c(=O)c3n2C)CC1
InChIInChI=1S/C12H17N5O/c1-15-5-7-17(8-6-15)12-14-9-3-4-13-11(18)10(9)16(12)2/h3-4H,5-8H2,1-2H3,(H,13,18)
InChIKeyCHAPSBLTBKGLNW-UHFFFAOYSA-N
XLogP0.01
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-methylpiperazin-1-yl)-5H-imidazo[4,5-c]pyridin-4-one?
The IUPAC name of 3-methyl-2-(4-methylpiperazin-1-yl)-5H-imidazo[4,5-c]pyridin-4-one (CID 59424011) is 3-methyl-2-(4-methylpiperazin-1-yl)-5H-imidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 3-methyl-2-(4-methylpiperazin-1-yl)-5H-imidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 3-methyl-2-(4-methylpiperazin-1-yl)-5H-imidazo[4,5-c]pyridin-4-one is CN1CCN(c2nc3cc[nH]c(=O)c3n2C)CC1.
What is the InChIKey of 3-methyl-2-(4-methylpiperazin-1-yl)-5H-imidazo[4,5-c]pyridin-4-one?
The InChIKey is CHAPSBLTBKGLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-15-5-7-17(8-6-15)12-14-9-3-4-13-11(18)10(9)16(12)2/h3-4H,5-8H2,1-2H3,(H,13,18).
What are the key properties of 3-methyl-2-(4-methylpiperazin-1-yl)-5H-imidazo[4,5-c]pyridin-4-one?
3-methyl-2-(4-methylpiperazin-1-yl)-5H-imidazo[4,5-c]pyridin-4-one has a molecular weight of 247.30 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-methylpiperazin-1-yl)-5H-imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 59424011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).