methyl 5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)piperidin-1-yl]pyrazine-2-carboxylate

C24H27N5O2 — CID 67177357

IUPACmethyl 5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)piperidin-1-yl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(N2CCC(c3nnc(Cc4ccccc4)c(C)c3C)CC2)cn1
InChIInChI=1S/C24H27N5O2/c1-16-17(2)23(28-27-20(16)13-18-7-5-4-6-8-18)19-9-11-29(12-10-19)22-15-25-21(14-26-22)24(30)31-3/h4-8,14-15,19H,9-13H2,1-3H3
InChIKeyIPYHGTQGYJQMOA-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.64
Rot. Bonds5

About methyl 5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)piperidin-1-yl]pyrazine-2-carboxylate

methyl 5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)piperidin-1-yl]pyrazine-2-carboxylate (PubChem CID 67177357) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is methyl 5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)piperidin-1-yl]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)piperidin-1-yl]pyrazine-2-carboxylate
PubChem CID67177357
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Namemethyl 5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)piperidin-1-yl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(N2CCC(c3nnc(Cc4ccccc4)c(C)c3C)CC2)cn1
InChIInChI=1S/C24H27N5O2/c1-16-17(2)23(28-27-20(16)13-18-7-5-4-6-8-18)19-9-11-29(12-10-19)22-15-25-21(14-26-22)24(30)31-3/h4-8,14-15,19H,9-13H2,1-3H3
InChIKeyIPYHGTQGYJQMOA-UHFFFAOYSA-N
XLogP3.64
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)piperidin-1-yl]pyrazine-2-carboxylate 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 methyl 5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)piperidin-1-yl]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)piperidin-1-yl]pyrazine-2-carboxylate (CID 67177357) is methyl 5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)piperidin-1-yl]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)piperidin-1-yl]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)piperidin-1-yl]pyrazine-2-carboxylate is COC(=O)c1cnc(N2CCC(c3nnc(Cc4ccccc4)c(C)c3C)CC2)cn1.
What is the InChIKey of methyl 5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)piperidin-1-yl]pyrazine-2-carboxylate?
The InChIKey is IPYHGTQGYJQMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-16-17(2)23(28-27-20(16)13-18-7-5-4-6-8-18)19-9-11-29(12-10-19)22-15-25-21(14-26-22)24(30)31-3/h4-8,14-15,19H,9-13H2,1-3H3.
What are the key properties of methyl 5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)piperidin-1-yl]pyrazine-2-carboxylate?
methyl 5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)piperidin-1-yl]pyrazine-2-carboxylate has a molecular weight of 417.51 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)piperidin-1-yl]pyrazine-2-carboxylate is sourced from PubChem (CID 67177357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).