2-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-(2,5-dimethylfuran-3-yl)-7-methylimidazo[1,2-a]pyrazin-8-one

C18H21N5O3 — CID 95895991

IUPAC2-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-(2,5-dimethylfuran-3-yl)-7-methylimidazo[1,2-a]pyrazin-8-one
SMILESCc1cc(-c2cn3cc(C(=O)N4CC[C@@H](N)C4)nc3c(=O)n2C)c(C)o1
InChIInChI=1S/C18H21N5O3/c1-10-6-13(11(2)26-10)15-9-23-8-14(20-16(23)18(25)21(15)3)17(24)22-5-4-12(19)7-22/h6,8-9,12H,4-5,7,19H2,1-3H3/t12-/m1/s1
InChIKeyXPJPLEKUBYFRJG-GFCCVEGCSA-N
MW355.40 g/mol
LogP1.08
Rot. Bonds2

About 2-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-(2,5-dimethylfuran-3-yl)-7-methylimidazo[1,2-a]pyrazin-8-one

2-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-(2,5-dimethylfuran-3-yl)-7-methylimidazo[1,2-a]pyrazin-8-one (PubChem CID 95895991) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 2-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-(2,5-dimethylfuran-3-yl)-7-methylimidazo[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name2-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-(2,5-dimethylfuran-3-yl)-7-methylimidazo[1,2-a]pyrazin-8-one
PubChem CID95895991
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name2-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-(2,5-dimethylfuran-3-yl)-7-methylimidazo[1,2-a]pyrazin-8-one
SMILESCc1cc(-c2cn3cc(C(=O)N4CC[C@@H](N)C4)nc3c(=O)n2C)c(C)o1
InChIInChI=1S/C18H21N5O3/c1-10-6-13(11(2)26-10)15-9-23-8-14(20-16(23)18(25)21(15)3)17(24)22-5-4-12(19)7-22/h6,8-9,12H,4-5,7,19H2,1-3H3/t12-/m1/s1
InChIKeyXPJPLEKUBYFRJG-GFCCVEGCSA-N
XLogP1.08
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-(2,5-dimethylfuran-3-yl)-7-methylimidazo[1,2-a]pyrazin-8-one?
The IUPAC name of 2-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-(2,5-dimethylfuran-3-yl)-7-methylimidazo[1,2-a]pyrazin-8-one (CID 95895991) is 2-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-(2,5-dimethylfuran-3-yl)-7-methylimidazo[1,2-a]pyrazin-8-one.
What is the SMILES notation for 2-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-(2,5-dimethylfuran-3-yl)-7-methylimidazo[1,2-a]pyrazin-8-one?
The canonical SMILES for 2-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-(2,5-dimethylfuran-3-yl)-7-methylimidazo[1,2-a]pyrazin-8-one is Cc1cc(-c2cn3cc(C(=O)N4CC[C@@H](N)C4)nc3c(=O)n2C)c(C)o1.
What is the InChIKey of 2-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-(2,5-dimethylfuran-3-yl)-7-methylimidazo[1,2-a]pyrazin-8-one?
The InChIKey is XPJPLEKUBYFRJG-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-10-6-13(11(2)26-10)15-9-23-8-14(20-16(23)18(25)21(15)3)17(24)22-5-4-12(19)7-22/h6,8-9,12H,4-5,7,19H2,1-3H3/t12-/m1/s1.
What are the key properties of 2-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-(2,5-dimethylfuran-3-yl)-7-methylimidazo[1,2-a]pyrazin-8-one?
2-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-(2,5-dimethylfuran-3-yl)-7-methylimidazo[1,2-a]pyrazin-8-one has a molecular weight of 355.40 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-(2,5-dimethylfuran-3-yl)-7-methylimidazo[1,2-a]pyrazin-8-one is sourced from PubChem (CID 95895991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).