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

C24H26N2O4 — CID 11742064

IUPACtert-butyl 1-benzyl-7-methoxy-2-oxo-3,4a-dihydroindeno[1,2-b]pyrazine-4-carboxylate
SMILESCOc1ccc2c(c1)C=C1C2N(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/h5-13,22H,14-15H2,1-4H3
InChIKeyYNRWFBAXUZZJLP-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.37
Rot. Bonds3

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

tert-butyl 1-benzyl-7-methoxy-2-oxo-3,4a-dihydroindeno[1,2-b]pyrazine-4-carboxylate (PubChem CID 11742064) 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-3,4a-dihydroindeno[1,2-b]pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-benzyl-7-methoxy-2-oxo-3,4a-dihydroindeno[1,2-b]pyrazine-4-carboxylate
PubChem CID11742064
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Nametert-butyl 1-benzyl-7-methoxy-2-oxo-3,4a-dihydroindeno[1,2-b]pyrazine-4-carboxylate
SMILESCOc1ccc2c(c1)C=C1C2N(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/h5-13,22H,14-15H2,1-4H3
InChIKeyYNRWFBAXUZZJLP-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 1-benzyl-7-methoxy-2-oxo-3,4a-dihydroindeno[1,2-b]pyrazine-4-carboxylate with MolForge

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Related Compounds

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CID 10092744
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tert-butyl (2S)-4-benzyl-5-ethyl-2-methylpiperazine-1-carboxylate
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tert-butyl (2S)-4-benzyl-2-methyl-3-oxopiperazine-1-carboxylate
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CID 101381411
tert-butyl 3-[(3-methoxyphenyl)methylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
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CID 86724020
tert-butyl (2S,5S)-2-benzyl-5-(hydroxymethyl)-3-oxopiperazine-1-carboxylate
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7-methoxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 21224021
6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-benzyl-7-methoxy-2-oxo-3,4a-dihydroindeno[1,2-b]pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 1-benzyl-7-methoxy-2-oxo-3,4a-dihydroindeno[1,2-b]pyrazine-4-carboxylate (CID 11742064) is tert-butyl 1-benzyl-7-methoxy-2-oxo-3,4a-dihydroindeno[1,2-b]pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 1-benzyl-7-methoxy-2-oxo-3,4a-dihydroindeno[1,2-b]pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 1-benzyl-7-methoxy-2-oxo-3,4a-dihydroindeno[1,2-b]pyrazine-4-carboxylate is COc1ccc2c(c1)C=C1C2N(C(=O)OC(C)(C)C)CC(=O)N1Cc1ccccc1.
What is the InChIKey of tert-butyl 1-benzyl-7-methoxy-2-oxo-3,4a-dihydroindeno[1,2-b]pyrazine-4-carboxylate?
The InChIKey is YNRWFBAXUZZJLP-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/h5-13,22H,14-15H2,1-4H3.
What are the key properties of tert-butyl 1-benzyl-7-methoxy-2-oxo-3,4a-dihydroindeno[1,2-b]pyrazine-4-carboxylate?
tert-butyl 1-benzyl-7-methoxy-2-oxo-3,4a-dihydroindeno[1,2-b]pyrazine-4-carboxylate has a molecular weight of 406.48 g/mol, XLogP of 4.37, 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-3,4a-dihydroindeno[1,2-b]pyrazine-4-carboxylate is sourced from PubChem (CID 11742064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).