3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C24H25F3N6O4 — CID 170350786

IUPAC3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCN1CC[C@@](O)(c2cc(-c3cccc(-c4nc(C(N)=O)c5n4CCN(CCC(F)(F)F)C5)c3)no2)C1=O
InChIInChI=1S/C24H25F3N6O4/c1-31-7-5-23(36,22(31)35)18-12-16(30-37-18)14-3-2-4-15(11-14)21-29-19(20(28)34)17-13-32(9-10-33(17)21)8-6-24(25,26)27/h2-4,11-12,36H,5-10,13H2,1H3,(H2,28,34)/t23-/m1/s1
InChIKeyQFQURVOKWQXJTG-HSZRJFAPSA-N
MW518.50 g/mol
LogP2.12
Rot. Bonds6

About 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 170350786) has the molecular formula C24H25F3N6O4 and a molecular weight of 518.50 g/mol. Its IUPAC name is 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound Name3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID170350786
Molecular FormulaC24H25F3N6O4
Molecular Weight518.50 g/mol
Exact Mass518.19
IUPAC Name3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCN1CC[C@@](O)(c2cc(-c3cccc(-c4nc(C(N)=O)c5n4CCN(CCC(F)(F)F)C5)c3)no2)C1=O
InChIInChI=1S/C24H25F3N6O4/c1-31-7-5-23(36,22(31)35)18-12-16(30-37-18)14-3-2-4-15(11-14)21-29-19(20(28)34)17-13-32(9-10-33(17)21)8-6-24(25,26)27/h2-4,11-12,36H,5-10,13H2,1H3,(H2,28,34)/t23-/m1/s1
InChIKeyQFQURVOKWQXJTG-HSZRJFAPSA-N
XLogP2.12
TPSA130.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.50
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 170350786) is 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.
What is the SMILES notation for 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is CN1CC[C@@](O)(c2cc(-c3cccc(-c4nc(C(N)=O)c5n4CCN(CCC(F)(F)F)C5)c3)no2)C1=O.
What is the InChIKey of 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is QFQURVOKWQXJTG-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H25F3N6O4/c1-31-7-5-23(36,22(31)35)18-12-16(30-37-18)14-3-2-4-15(11-14)21-29-19(20(28)34)17-13-32(9-10-33(17)21)8-6-24(25,26)27/h2-4,11-12,36H,5-10,13H2,1H3,(H2,28,34)/t23-/m1/s1.
What are the key properties of 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 518.50 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-7-(3,3,3-trifluoropropyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 170350786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).