methyl 5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-2-hydroxybenzoate

C19H24N4O3 — CID 56877236

IUPACmethyl 5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-2-hydroxybenzoate
SMILESCOC(=O)c1cc(CN2CCN(c3nc(C)cnc3C)CC2)ccc1O
InChIInChI=1S/C19H24N4O3/c1-13-11-20-14(2)18(21-13)23-8-6-22(7-9-23)12-15-4-5-17(24)16(10-15)19(25)26-3/h4-5,10-11,24H,6-9,12H2,1-3H3
InChIKeySQBUMVQBTOERHX-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.91
Rot. Bonds4

About methyl 5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-2-hydroxybenzoate

methyl 5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-2-hydroxybenzoate (PubChem CID 56877236) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is methyl 5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-2-hydroxybenzoate
PubChem CID56877236
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Namemethyl 5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-2-hydroxybenzoate
SMILESCOC(=O)c1cc(CN2CCN(c3nc(C)cnc3C)CC2)ccc1O
InChIInChI=1S/C19H24N4O3/c1-13-11-20-14(2)18(21-13)23-8-6-22(7-9-23)12-15-4-5-17(24)16(10-15)19(25)26-3/h4-5,10-11,24H,6-9,12H2,1-3H3
InChIKeySQBUMVQBTOERHX-UHFFFAOYSA-N
XLogP1.91
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-2-hydroxybenzoate?
The IUPAC name of methyl 5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-2-hydroxybenzoate (CID 56877236) is methyl 5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-2-hydroxybenzoate.
What is the SMILES notation for methyl 5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-2-hydroxybenzoate?
The canonical SMILES for methyl 5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-2-hydroxybenzoate is COC(=O)c1cc(CN2CCN(c3nc(C)cnc3C)CC2)ccc1O.
What is the InChIKey of methyl 5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-2-hydroxybenzoate?
The InChIKey is SQBUMVQBTOERHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13-11-20-14(2)18(21-13)23-8-6-22(7-9-23)12-15-4-5-17(24)16(10-15)19(25)26-3/h4-5,10-11,24H,6-9,12H2,1-3H3.
What are the key properties of methyl 5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-2-hydroxybenzoate?
methyl 5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-2-hydroxybenzoate has a molecular weight of 356.43 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-2-hydroxybenzoate is sourced from PubChem (CID 56877236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).