2-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one

C19H25N5O — CID 50965523

IUPAC2-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
SMILESCc1cc(CN2CCN3CCNC(=O)C3C2)c(C)n1-c1cccnc1
InChIInChI=1S/C19H25N5O/c1-14-10-16(15(2)24(14)17-4-3-5-20-11-17)12-22-8-9-23-7-6-21-19(25)18(23)13-22/h3-5,10-11,18H,6-9,12-13H2,1-2H3,(H,21,25)
InChIKeyVRNIOACZUOFWEL-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.11
Rot. Bonds3

About 2-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one

2-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one (PubChem CID 50965523) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one.

Molecular Properties

Compound Name2-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
PubChem CID50965523
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name2-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
SMILESCc1cc(CN2CCN3CCNC(=O)C3C2)c(C)n1-c1cccnc1
InChIInChI=1S/C19H25N5O/c1-14-10-16(15(2)24(14)17-4-3-5-20-11-17)12-22-8-9-23-7-6-21-19(25)18(23)13-22/h3-5,10-11,18H,6-9,12-13H2,1-2H3,(H,21,25)
InChIKeyVRNIOACZUOFWEL-UHFFFAOYSA-N
XLogP1.11
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The IUPAC name of 2-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one (CID 50965523) is 2-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one.
What is the SMILES notation for 2-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The canonical SMILES for 2-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one is Cc1cc(CN2CCN3CCNC(=O)C3C2)c(C)n1-c1cccnc1.
What is the InChIKey of 2-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The InChIKey is VRNIOACZUOFWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-14-10-16(15(2)24(14)17-4-3-5-20-11-17)12-22-8-9-23-7-6-21-19(25)18(23)13-22/h3-5,10-11,18H,6-9,12-13H2,1-2H3,(H,21,25).
What are the key properties of 2-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
2-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one has a molecular weight of 339.44 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one is sourced from PubChem (CID 50965523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).