2-[7-(2-methoxyethyl)-5-(2-methylpropyl)-3,6-dioxo-1,5,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-(2-pyridin-3-ylethyl)acetamide

C22H33N5O4 — CID 171148610

IUPAC2-[7-(2-methoxyethyl)-5-(2-methylpropyl)-3,6-dioxo-1,5,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-(2-pyridin-3-ylethyl)acetamide
SMILESCOCCN1CC2CN(CC(=O)NCCc3cccnc3)C(=O)N2C(CC(C)C)C1=O
InChIInChI=1S/C22H33N5O4/c1-16(2)11-19-21(29)25(9-10-31-3)13-18-14-26(22(30)27(18)19)15-20(28)24-8-6-17-5-4-7-23-12-17/h4-5,7,12,16,18-19H,6,8-11,13-15H2,1-3H3,(H,24,28)
InChIKeyTVHDLSXCLAOVSW-UHFFFAOYSA-N
MW431.54 g/mol
LogP0.75
Rot. Bonds10

About 2-[7-(2-methoxyethyl)-5-(2-methylpropyl)-3,6-dioxo-1,5,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-(2-pyridin-3-ylethyl)acetamide

2-[7-(2-methoxyethyl)-5-(2-methylpropyl)-3,6-dioxo-1,5,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-(2-pyridin-3-ylethyl)acetamide (PubChem CID 171148610) has the molecular formula C22H33N5O4 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-[7-(2-methoxyethyl)-5-(2-methylpropyl)-3,6-dioxo-1,5,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-(2-pyridin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-[7-(2-methoxyethyl)-5-(2-methylpropyl)-3,6-dioxo-1,5,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-(2-pyridin-3-ylethyl)acetamide
PubChem CID171148610
Molecular FormulaC22H33N5O4
Molecular Weight431.54 g/mol
Exact Mass431.25
IUPAC Name2-[7-(2-methoxyethyl)-5-(2-methylpropyl)-3,6-dioxo-1,5,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-(2-pyridin-3-ylethyl)acetamide
SMILESCOCCN1CC2CN(CC(=O)NCCc3cccnc3)C(=O)N2C(CC(C)C)C1=O
InChIInChI=1S/C22H33N5O4/c1-16(2)11-19-21(29)25(9-10-31-3)13-18-14-26(22(30)27(18)19)15-20(28)24-8-6-17-5-4-7-23-12-17/h4-5,7,12,16,18-19H,6,8-11,13-15H2,1-3H3,(H,24,28)
InChIKeyTVHDLSXCLAOVSW-UHFFFAOYSA-N
XLogP0.75
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[7-(2-methoxyethyl)-5-(2-methylpropyl)-3,6-dioxo-1,5,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-(2-pyridin-3-ylethyl)acetamide with MolForge

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Related Compounds

N-(2-methoxyethyl)-2-pyridin-3-ylacetamide
CID 110697049
N-(4-methoxybutyl)-4-pyridin-3-ylbutanamide
CID 110610244
methyl 4-oxo-4-(2-pyridin-3-ylethylamino)butanoate
CID 115174685
2-[7-(2-methylpropyl)-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]-N-(2-phenoxyethyl)acetamide
CID 171150302
3-(2-methoxyphenoxy)-N-(2-pyridin-3-ylethyl)propanamide
CID 86921991
4-amino-3-methyl-N-(2-pyridin-3-ylethyl)butanamide
CID 81075299
methyl 2-oxo-2-(2-pyridin-3-ylethylamino)acetate
CID 112616794
2-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-3-ylethyl)acetamide
CID 112605093
2-(cyclopentylamino)-N-(2-pyridin-3-ylethyl)acetamide
CID 60912902
2-piperidin-4-yloxy-N-(2-pyridin-3-ylethyl)acetamide
CID 55252246
2-(2-methoxyethyl)-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide
CID 5308909
3-methyl-N-(4-pyridin-3-ylbutyl)butanamide
CID 110661269

Frequently Asked Questions

What is the IUPAC name of 2-[7-(2-methoxyethyl)-5-(2-methylpropyl)-3,6-dioxo-1,5,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-(2-pyridin-3-ylethyl)acetamide?
The IUPAC name of 2-[7-(2-methoxyethyl)-5-(2-methylpropyl)-3,6-dioxo-1,5,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-(2-pyridin-3-ylethyl)acetamide (CID 171148610) is 2-[7-(2-methoxyethyl)-5-(2-methylpropyl)-3,6-dioxo-1,5,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-(2-pyridin-3-ylethyl)acetamide.
What is the SMILES notation for 2-[7-(2-methoxyethyl)-5-(2-methylpropyl)-3,6-dioxo-1,5,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-(2-pyridin-3-ylethyl)acetamide?
The canonical SMILES for 2-[7-(2-methoxyethyl)-5-(2-methylpropyl)-3,6-dioxo-1,5,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-(2-pyridin-3-ylethyl)acetamide is COCCN1CC2CN(CC(=O)NCCc3cccnc3)C(=O)N2C(CC(C)C)C1=O.
What is the InChIKey of 2-[7-(2-methoxyethyl)-5-(2-methylpropyl)-3,6-dioxo-1,5,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-(2-pyridin-3-ylethyl)acetamide?
The InChIKey is TVHDLSXCLAOVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O4/c1-16(2)11-19-21(29)25(9-10-31-3)13-18-14-26(22(30)27(18)19)15-20(28)24-8-6-17-5-4-7-23-12-17/h4-5,7,12,16,18-19H,6,8-11,13-15H2,1-3H3,(H,24,28).
What are the key properties of 2-[7-(2-methoxyethyl)-5-(2-methylpropyl)-3,6-dioxo-1,5,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-(2-pyridin-3-ylethyl)acetamide?
2-[7-(2-methoxyethyl)-5-(2-methylpropyl)-3,6-dioxo-1,5,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-(2-pyridin-3-ylethyl)acetamide has a molecular weight of 431.54 g/mol, XLogP of 0.75, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2-methoxyethyl)-5-(2-methylpropyl)-3,6-dioxo-1,5,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-(2-pyridin-3-ylethyl)acetamide is sourced from PubChem (CID 171148610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).