1-[1-[4-(3,7-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)piperidin-1-yl]-1-oxobutan-2-yl]pyrrolidin-2-one

C21H33N5O2 — CID 146114903

IUPAC1-[1-[4-(3,7-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)piperidin-1-yl]-1-oxobutan-2-yl]pyrrolidin-2-one
SMILESCCC(C(=O)N1CCC(c2nc(C)n3c2CN(C)CC3)CC1)N1CCCC1=O
InChIInChI=1S/C21H33N5O2/c1-4-17(26-9-5-6-19(26)27)21(28)24-10-7-16(8-11-24)20-18-14-23(3)12-13-25(18)15(2)22-20/h16-17H,4-14H2,1-3H3
InChIKeyDYZYKDWAZNTZHW-UHFFFAOYSA-N
MW387.53 g/mol
LogP1.74
Rot. Bonds4

About 1-[1-[4-(3,7-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)piperidin-1-yl]-1-oxobutan-2-yl]pyrrolidin-2-one

1-[1-[4-(3,7-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)piperidin-1-yl]-1-oxobutan-2-yl]pyrrolidin-2-one (PubChem CID 146114903) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 1-[1-[4-(3,7-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)piperidin-1-yl]-1-oxobutan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[4-(3,7-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)piperidin-1-yl]-1-oxobutan-2-yl]pyrrolidin-2-one
PubChem CID146114903
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC Name1-[1-[4-(3,7-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)piperidin-1-yl]-1-oxobutan-2-yl]pyrrolidin-2-one
SMILESCCC(C(=O)N1CCC(c2nc(C)n3c2CN(C)CC3)CC1)N1CCCC1=O
InChIInChI=1S/C21H33N5O2/c1-4-17(26-9-5-6-19(26)27)21(28)24-10-7-16(8-11-24)20-18-14-23(3)12-13-25(18)15(2)22-20/h16-17H,4-14H2,1-3H3
InChIKeyDYZYKDWAZNTZHW-UHFFFAOYSA-N
XLogP1.74
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(3,7-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)piperidin-1-yl]-1-oxobutan-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[4-(3,7-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)piperidin-1-yl]-1-oxobutan-2-yl]pyrrolidin-2-one (CID 146114903) is 1-[1-[4-(3,7-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)piperidin-1-yl]-1-oxobutan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[4-(3,7-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)piperidin-1-yl]-1-oxobutan-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[4-(3,7-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)piperidin-1-yl]-1-oxobutan-2-yl]pyrrolidin-2-one is CCC(C(=O)N1CCC(c2nc(C)n3c2CN(C)CC3)CC1)N1CCCC1=O.
What is the InChIKey of 1-[1-[4-(3,7-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)piperidin-1-yl]-1-oxobutan-2-yl]pyrrolidin-2-one?
The InChIKey is DYZYKDWAZNTZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-4-17(26-9-5-6-19(26)27)21(28)24-10-7-16(8-11-24)20-18-14-23(3)12-13-25(18)15(2)22-20/h16-17H,4-14H2,1-3H3.
What are the key properties of 1-[1-[4-(3,7-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)piperidin-1-yl]-1-oxobutan-2-yl]pyrrolidin-2-one?
1-[1-[4-(3,7-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)piperidin-1-yl]-1-oxobutan-2-yl]pyrrolidin-2-one has a molecular weight of 387.53 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(3,7-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)piperidin-1-yl]-1-oxobutan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 146114903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).