1-[(8S)-7-(4-fluorobenzoyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]pyrrolidin-2-one

C19H18F4N4O2 — CID 166082136

IUPAC1-[(8S)-7-(4-fluorobenzoyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]pyrrolidin-2-one
SMILESC[C@H]1c2c(N3CCCC3=O)nc(C(F)(F)F)n2CCN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C19H18F4N4O2/c1-11-15-16(26-8-2-3-14(26)28)24-18(19(21,22)23)27(15)10-9-25(11)17(29)12-4-6-13(20)7-5-12/h4-7,11H,2-3,8-10H2,1H3/t11-/m0/s1
InChIKeyYCVCDOVKGTXJMJ-NSHDSACASA-N
MW410.37 g/mol
LogP3.38
Rot. Bonds2

About 1-[(8S)-7-(4-fluorobenzoyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]pyrrolidin-2-one

1-[(8S)-7-(4-fluorobenzoyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]pyrrolidin-2-one (PubChem CID 166082136) has the molecular formula C19H18F4N4O2 and a molecular weight of 410.37 g/mol. Its IUPAC name is 1-[(8S)-7-(4-fluorobenzoyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(8S)-7-(4-fluorobenzoyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]pyrrolidin-2-one
PubChem CID166082136
Molecular FormulaC19H18F4N4O2
Molecular Weight410.37 g/mol
Exact Mass410.14
IUPAC Name1-[(8S)-7-(4-fluorobenzoyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]pyrrolidin-2-one
SMILESC[C@H]1c2c(N3CCCC3=O)nc(C(F)(F)F)n2CCN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C19H18F4N4O2/c1-11-15-16(26-8-2-3-14(26)28)24-18(19(21,22)23)27(15)10-9-25(11)17(29)12-4-6-13(20)7-5-12/h4-7,11H,2-3,8-10H2,1H3/t11-/m0/s1
InChIKeyYCVCDOVKGTXJMJ-NSHDSACASA-N
XLogP3.38
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(8S)-7-(4-fluorobenzoyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(8S)-7-(4-fluorobenzoyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]pyrrolidin-2-one (CID 166082136) is 1-[(8S)-7-(4-fluorobenzoyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(8S)-7-(4-fluorobenzoyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(8S)-7-(4-fluorobenzoyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]pyrrolidin-2-one is C[C@H]1c2c(N3CCCC3=O)nc(C(F)(F)F)n2CCN1C(=O)c1ccc(F)cc1.
What is the InChIKey of 1-[(8S)-7-(4-fluorobenzoyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]pyrrolidin-2-one?
The InChIKey is YCVCDOVKGTXJMJ-NSHDSACASA-N. The full InChI is InChI=1S/C19H18F4N4O2/c1-11-15-16(26-8-2-3-14(26)28)24-18(19(21,22)23)27(15)10-9-25(11)17(29)12-4-6-13(20)7-5-12/h4-7,11H,2-3,8-10H2,1H3/t11-/m0/s1.
What are the key properties of 1-[(8S)-7-(4-fluorobenzoyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]pyrrolidin-2-one?
1-[(8S)-7-(4-fluorobenzoyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]pyrrolidin-2-one has a molecular weight of 410.37 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8S)-7-(4-fluorobenzoyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 166082136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).