3-[[1-[3-[(2-oxo-1H-pyrazin-3-yl)methyl]indol-1-yl]indol-3-yl]methyl]-1H-pyrazin-2-one

C26H20N6O2 — CID 102339996

IUPAC3-[[1-[3-[(2-oxo-1H-pyrazin-3-yl)methyl]indol-1-yl]indol-3-yl]methyl]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1Cc1cn(-n2cc(Cc3ncc[nH]c3=O)c3ccccc32)c2ccccc12
InChIInChI=1S/C26H20N6O2/c33-25-21(27-9-11-29-25)13-17-15-31(23-7-3-1-5-19(17)23)32-16-18(20-6-2-4-8-24(20)32)14-22-26(34)30-12-10-28-22/h1-12,15-16H,13-14H2,(H,29,33)(H,30,34)
InChIKeyUVFHRWAYQJHJFT-UHFFFAOYSA-N
MW448.49 g/mol
LogP3.26
Rot. Bonds5

About 3-[[1-[3-[(2-oxo-1H-pyrazin-3-yl)methyl]indol-1-yl]indol-3-yl]methyl]-1H-pyrazin-2-one

3-[[1-[3-[(2-oxo-1H-pyrazin-3-yl)methyl]indol-1-yl]indol-3-yl]methyl]-1H-pyrazin-2-one (PubChem CID 102339996) has the molecular formula C26H20N6O2 and a molecular weight of 448.49 g/mol. Its IUPAC name is 3-[[1-[3-[(2-oxo-1H-pyrazin-3-yl)methyl]indol-1-yl]indol-3-yl]methyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[[1-[3-[(2-oxo-1H-pyrazin-3-yl)methyl]indol-1-yl]indol-3-yl]methyl]-1H-pyrazin-2-one
PubChem CID102339996
Molecular FormulaC26H20N6O2
Molecular Weight448.49 g/mol
Exact Mass448.16
IUPAC Name3-[[1-[3-[(2-oxo-1H-pyrazin-3-yl)methyl]indol-1-yl]indol-3-yl]methyl]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1Cc1cn(-n2cc(Cc3ncc[nH]c3=O)c3ccccc32)c2ccccc12
InChIInChI=1S/C26H20N6O2/c33-25-21(27-9-11-29-25)13-17-15-31(23-7-3-1-5-19(17)23)32-16-18(20-6-2-4-8-24(20)32)14-22-26(34)30-12-10-28-22/h1-12,15-16H,13-14H2,(H,29,33)(H,30,34)
InChIKeyUVFHRWAYQJHJFT-UHFFFAOYSA-N
XLogP3.26
TPSA101.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[3-[(2-oxo-1H-pyrazin-3-yl)methyl]indol-1-yl]indol-3-yl]methyl]-1H-pyrazin-2-one?
The IUPAC name of 3-[[1-[3-[(2-oxo-1H-pyrazin-3-yl)methyl]indol-1-yl]indol-3-yl]methyl]-1H-pyrazin-2-one (CID 102339996) is 3-[[1-[3-[(2-oxo-1H-pyrazin-3-yl)methyl]indol-1-yl]indol-3-yl]methyl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[[1-[3-[(2-oxo-1H-pyrazin-3-yl)methyl]indol-1-yl]indol-3-yl]methyl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[[1-[3-[(2-oxo-1H-pyrazin-3-yl)methyl]indol-1-yl]indol-3-yl]methyl]-1H-pyrazin-2-one is O=c1[nH]ccnc1Cc1cn(-n2cc(Cc3ncc[nH]c3=O)c3ccccc32)c2ccccc12.
What is the InChIKey of 3-[[1-[3-[(2-oxo-1H-pyrazin-3-yl)methyl]indol-1-yl]indol-3-yl]methyl]-1H-pyrazin-2-one?
The InChIKey is UVFHRWAYQJHJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6O2/c33-25-21(27-9-11-29-25)13-17-15-31(23-7-3-1-5-19(17)23)32-16-18(20-6-2-4-8-24(20)32)14-22-26(34)30-12-10-28-22/h1-12,15-16H,13-14H2,(H,29,33)(H,30,34).
What are the key properties of 3-[[1-[3-[(2-oxo-1H-pyrazin-3-yl)methyl]indol-1-yl]indol-3-yl]methyl]-1H-pyrazin-2-one?
3-[[1-[3-[(2-oxo-1H-pyrazin-3-yl)methyl]indol-1-yl]indol-3-yl]methyl]-1H-pyrazin-2-one has a molecular weight of 448.49 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[3-[(2-oxo-1H-pyrazin-3-yl)methyl]indol-1-yl]indol-3-yl]methyl]-1H-pyrazin-2-one is sourced from PubChem (CID 102339996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).