tert-butyl 1-benzyl-7-methoxy-2-oxo-3,9-dihydroindeno[1,2-b]pyrazine-4-carboxylate

C24H26N2O4 — CID 10092744

IUPACtert-butyl 1-benzyl-7-methoxy-2-oxo-3,9-dihydroindeno[1,2-b]pyrazine-4-carboxylate
SMILESCOc1ccc2c(c1)CC1=C2N(C(=O)OC(C)(C)C)CC(=O)N1Cc1ccccc1
InChIInChI=1S/C24H26N2O4/c1-24(2,3)30-23(28)26-15-21(27)25(14-16-8-6-5-7-9-16)20-13-17-12-18(29-4)10-11-19(17)22(20)26/h5-12H,13-15H2,1-4H3
InChIKeyZQEHADPKWAAKGI-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.20
Rot. Bonds3

About tert-butyl 1-benzyl-7-methoxy-2-oxo-3,9-dihydroindeno[1,2-b]pyrazine-4-carboxylate

tert-butyl 1-benzyl-7-methoxy-2-oxo-3,9-dihydroindeno[1,2-b]pyrazine-4-carboxylate (PubChem CID 10092744) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is tert-butyl 1-benzyl-7-methoxy-2-oxo-3,9-dihydroindeno[1,2-b]pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-benzyl-7-methoxy-2-oxo-3,9-dihydroindeno[1,2-b]pyrazine-4-carboxylate
PubChem CID10092744
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Nametert-butyl 1-benzyl-7-methoxy-2-oxo-3,9-dihydroindeno[1,2-b]pyrazine-4-carboxylate
SMILESCOc1ccc2c(c1)CC1=C2N(C(=O)OC(C)(C)C)CC(=O)N1Cc1ccccc1
InChIInChI=1S/C24H26N2O4/c1-24(2,3)30-23(28)26-15-21(27)25(14-16-8-6-5-7-9-16)20-13-17-12-18(29-4)10-11-19(17)22(20)26/h5-12H,13-15H2,1-4H3
InChIKeyZQEHADPKWAAKGI-UHFFFAOYSA-N
XLogP4.20
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-benzyl-7-methoxy-2-oxo-3,9-dihydroindeno[1,2-b]pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 1-benzyl-7-methoxy-2-oxo-3,9-dihydroindeno[1,2-b]pyrazine-4-carboxylate (CID 10092744) is tert-butyl 1-benzyl-7-methoxy-2-oxo-3,9-dihydroindeno[1,2-b]pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 1-benzyl-7-methoxy-2-oxo-3,9-dihydroindeno[1,2-b]pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 1-benzyl-7-methoxy-2-oxo-3,9-dihydroindeno[1,2-b]pyrazine-4-carboxylate is COc1ccc2c(c1)CC1=C2N(C(=O)OC(C)(C)C)CC(=O)N1Cc1ccccc1.
What is the InChIKey of tert-butyl 1-benzyl-7-methoxy-2-oxo-3,9-dihydroindeno[1,2-b]pyrazine-4-carboxylate?
The InChIKey is ZQEHADPKWAAKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-24(2,3)30-23(28)26-15-21(27)25(14-16-8-6-5-7-9-16)20-13-17-12-18(29-4)10-11-19(17)22(20)26/h5-12H,13-15H2,1-4H3.
What are the key properties of tert-butyl 1-benzyl-7-methoxy-2-oxo-3,9-dihydroindeno[1,2-b]pyrazine-4-carboxylate?
tert-butyl 1-benzyl-7-methoxy-2-oxo-3,9-dihydroindeno[1,2-b]pyrazine-4-carboxylate has a molecular weight of 406.48 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-benzyl-7-methoxy-2-oxo-3,9-dihydroindeno[1,2-b]pyrazine-4-carboxylate is sourced from PubChem (CID 10092744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).