methyl 5-methyl-6-piperidin-4-ylpyrrolo[2,3-b]pyrazine-2-carboxylate;hydrochloride

C14H19ClN4O2 — CID 166104815

IUPACmethyl 5-methyl-6-piperidin-4-ylpyrrolo[2,3-b]pyrazine-2-carboxylate;hydrochloride
SMILESCOC(=O)c1cnc2c(cc(C3CCNCC3)n2C)n1.Cl
InChIInChI=1S/C14H18N4O2.ClH/c1-18-12(9-3-5-15-6-4-9)7-10-13(18)16-8-11(17-10)14(19)20-2;/h7-9,15H,3-6H2,1-2H3;1H
InChIKeyGUWMKTPFXPHUHM-UHFFFAOYSA-N
MW310.79 g/mol
LogP1.64
Rot. Bonds2

About methyl 5-methyl-6-piperidin-4-ylpyrrolo[2,3-b]pyrazine-2-carboxylate;hydrochloride

methyl 5-methyl-6-piperidin-4-ylpyrrolo[2,3-b]pyrazine-2-carboxylate;hydrochloride (PubChem CID 166104815) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is methyl 5-methyl-6-piperidin-4-ylpyrrolo[2,3-b]pyrazine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-methyl-6-piperidin-4-ylpyrrolo[2,3-b]pyrazine-2-carboxylate;hydrochloride
PubChem CID166104815
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Namemethyl 5-methyl-6-piperidin-4-ylpyrrolo[2,3-b]pyrazine-2-carboxylate;hydrochloride
SMILESCOC(=O)c1cnc2c(cc(C3CCNCC3)n2C)n1.Cl
InChIInChI=1S/C14H18N4O2.ClH/c1-18-12(9-3-5-15-6-4-9)7-10-13(18)16-8-11(17-10)14(19)20-2;/h7-9,15H,3-6H2,1-2H3;1H
InChIKeyGUWMKTPFXPHUHM-UHFFFAOYSA-N
XLogP1.64
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-methyl-6-piperidin-4-ylpyrrolo[2,3-b]pyrazine-2-carboxylate;hydrochloride 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-methyl-6-piperidin-4-ylpyrrolo[2,3-b]pyrazine-2-carboxylate;hydrochloride?
The IUPAC name of methyl 5-methyl-6-piperidin-4-ylpyrrolo[2,3-b]pyrazine-2-carboxylate;hydrochloride (CID 166104815) is methyl 5-methyl-6-piperidin-4-ylpyrrolo[2,3-b]pyrazine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-methyl-6-piperidin-4-ylpyrrolo[2,3-b]pyrazine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-methyl-6-piperidin-4-ylpyrrolo[2,3-b]pyrazine-2-carboxylate;hydrochloride is COC(=O)c1cnc2c(cc(C3CCNCC3)n2C)n1.Cl.
What is the InChIKey of methyl 5-methyl-6-piperidin-4-ylpyrrolo[2,3-b]pyrazine-2-carboxylate;hydrochloride?
The InChIKey is GUWMKTPFXPHUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2.ClH/c1-18-12(9-3-5-15-6-4-9)7-10-13(18)16-8-11(17-10)14(19)20-2;/h7-9,15H,3-6H2,1-2H3;1H.
What are the key properties of methyl 5-methyl-6-piperidin-4-ylpyrrolo[2,3-b]pyrazine-2-carboxylate;hydrochloride?
methyl 5-methyl-6-piperidin-4-ylpyrrolo[2,3-b]pyrazine-2-carboxylate;hydrochloride has a molecular weight of 310.79 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-6-piperidin-4-ylpyrrolo[2,3-b]pyrazine-2-carboxylate;hydrochloride is sourced from PubChem (CID 166104815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).