(5S)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(oxan-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

C26H28F2N4O2 — CID 155769074

IUPAC(5S)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(oxan-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESC[C@H]1C(=O)N(C)Cc2c(-c3cccc4nc(C5CCOCC5)c(C(F)F)cc34)nc(C3CC3)n21
InChIInChI=1S/C26H28F2N4O2/c1-14-26(33)31(2)13-21-23(30-25(32(14)21)16-6-7-16)17-4-3-5-20-18(17)12-19(24(27)28)22(29-20)15-8-10-34-11-9-15/h3-5,12,14-16,24H,6-11,13H2,1-2H3/t14-/m0/s1
InChIKeyDJNGAENPUAKERE-AWEZNQCLSA-N
MW466.53 g/mol
LogP5.34
Rot. Bonds4

About (5S)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(oxan-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

(5S)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(oxan-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 155769074) has the molecular formula C26H28F2N4O2 and a molecular weight of 466.53 g/mol. Its IUPAC name is (5S)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(oxan-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name(5S)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(oxan-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID155769074
Molecular FormulaC26H28F2N4O2
Molecular Weight466.53 g/mol
Exact Mass466.22
IUPAC Name(5S)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(oxan-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESC[C@H]1C(=O)N(C)Cc2c(-c3cccc4nc(C5CCOCC5)c(C(F)F)cc34)nc(C3CC3)n21
InChIInChI=1S/C26H28F2N4O2/c1-14-26(33)31(2)13-21-23(30-25(32(14)21)16-6-7-16)17-4-3-5-20-18(17)12-19(24(27)28)22(29-20)15-8-10-34-11-9-15/h3-5,12,14-16,24H,6-11,13H2,1-2H3/t14-/m0/s1
InChIKeyDJNGAENPUAKERE-AWEZNQCLSA-N
XLogP5.34
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.53
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5S)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(oxan-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(oxan-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The IUPAC name of (5S)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(oxan-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 155769074) is (5S)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(oxan-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.
What is the SMILES notation for (5S)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(oxan-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The canonical SMILES for (5S)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(oxan-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is C[C@H]1C(=O)N(C)Cc2c(-c3cccc4nc(C5CCOCC5)c(C(F)F)cc34)nc(C3CC3)n21.
What is the InChIKey of (5S)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(oxan-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is DJNGAENPUAKERE-AWEZNQCLSA-N. The full InChI is InChI=1S/C26H28F2N4O2/c1-14-26(33)31(2)13-21-23(30-25(32(14)21)16-6-7-16)17-4-3-5-20-18(17)12-19(24(27)28)22(29-20)15-8-10-34-11-9-15/h3-5,12,14-16,24H,6-11,13H2,1-2H3/t14-/m0/s1.
What are the key properties of (5S)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(oxan-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
(5S)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(oxan-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 466.53 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(oxan-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 155769074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).