methyl 6-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methylamino]pyrazine-2-carboxylate

C19H22N4O2 — CID 56865016

IUPACmethyl 6-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methylamino]pyrazine-2-carboxylate
SMILESCCc1[nH]c2c(CNc3cncc(C(=O)OC)n3)cc(C)cc2c1C
InChIInChI=1S/C19H22N4O2/c1-5-15-12(3)14-7-11(2)6-13(18(14)23-15)8-21-17-10-20-9-16(22-17)19(24)25-4/h6-7,9-10,23H,5,8H2,1-4H3,(H,21,22)
InChIKeyYDXHMBXQJAXKHL-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.54
Rot. Bonds5

About methyl 6-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methylamino]pyrazine-2-carboxylate

methyl 6-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methylamino]pyrazine-2-carboxylate (PubChem CID 56865016) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is methyl 6-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methylamino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methylamino]pyrazine-2-carboxylate
PubChem CID56865016
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Namemethyl 6-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methylamino]pyrazine-2-carboxylate
SMILESCCc1[nH]c2c(CNc3cncc(C(=O)OC)n3)cc(C)cc2c1C
InChIInChI=1S/C19H22N4O2/c1-5-15-12(3)14-7-11(2)6-13(18(14)23-15)8-21-17-10-20-9-16(22-17)19(24)25-4/h6-7,9-10,23H,5,8H2,1-4H3,(H,21,22)
InChIKeyYDXHMBXQJAXKHL-UHFFFAOYSA-N
XLogP3.54
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methylamino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methylamino]pyrazine-2-carboxylate (CID 56865016) is methyl 6-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methylamino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methylamino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methylamino]pyrazine-2-carboxylate is CCc1[nH]c2c(CNc3cncc(C(=O)OC)n3)cc(C)cc2c1C.
What is the InChIKey of methyl 6-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methylamino]pyrazine-2-carboxylate?
The InChIKey is YDXHMBXQJAXKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-5-15-12(3)14-7-11(2)6-13(18(14)23-15)8-21-17-10-20-9-16(22-17)19(24)25-4/h6-7,9-10,23H,5,8H2,1-4H3,(H,21,22).
What are the key properties of methyl 6-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methylamino]pyrazine-2-carboxylate?
methyl 6-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methylamino]pyrazine-2-carboxylate has a molecular weight of 338.41 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methylamino]pyrazine-2-carboxylate is sourced from PubChem (CID 56865016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).