[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methyl-2-pyridinyl)methanone

C15H19N5O — CID 128993003

IUPAC[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
SMILESCc1cccnc1C(=O)N1CCN(C)C(c2ncc[nH]2)C1
InChIInChI=1S/C15H19N5O/c1-11-4-3-5-16-13(11)15(21)20-9-8-19(2)12(10-20)14-17-6-7-18-14/h3-7,12H,8-10H2,1-2H3,(H,17,18)
InChIKeyGFKACHTZOILYGD-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.24
Rot. Bonds2

About [3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methyl-2-pyridinyl)methanone

[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methyl-2-pyridinyl)methanone (PubChem CID 128993003) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is [3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
PubChem CID128993003
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
SMILESCc1cccnc1C(=O)N1CCN(C)C(c2ncc[nH]2)C1
InChIInChI=1S/C15H19N5O/c1-11-4-3-5-16-13(11)15(21)20-9-8-19(2)12(10-20)14-17-6-7-18-14/h3-7,12H,8-10H2,1-2H3,(H,17,18)
InChIKeyGFKACHTZOILYGD-UHFFFAOYSA-N
XLogP1.24
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methyl-2-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methyl-2-pyridinyl)methanone?
The IUPAC name of [3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methyl-2-pyridinyl)methanone (CID 128993003) is [3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methyl-2-pyridinyl)methanone?
The canonical SMILES for [3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methyl-2-pyridinyl)methanone is Cc1cccnc1C(=O)N1CCN(C)C(c2ncc[nH]2)C1.
What is the InChIKey of [3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methyl-2-pyridinyl)methanone?
The InChIKey is GFKACHTZOILYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-11-4-3-5-16-13(11)15(21)20-9-8-19(2)12(10-20)14-17-6-7-18-14/h3-7,12H,8-10H2,1-2H3,(H,17,18).
What are the key properties of [3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methyl-2-pyridinyl)methanone?
[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methyl-2-pyridinyl)methanone has a molecular weight of 285.35 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 128993003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).