(6R,8aS)-6-[8-amino-1-[4-[(1R)-1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one

C31H32F3N5O2 — CID 121456498

IUPAC(6R,8aS)-6-[8-amino-1-[4-[(1R)-1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one
SMILESCC1(C)C[C@@H]2CC[C@@H](c3nc(-c4ccc([C@@](C)(O)c5cccc(C(F)(F)F)c5)cc4)c4c(N)nccn34)CN2C1=O
InChIInChI=1S/C31H32F3N5O2/c1-29(2)16-23-12-9-19(17-39(23)28(29)40)27-37-24(25-26(35)36-13-14-38(25)27)18-7-10-20(11-8-18)30(3,41)21-5-4-6-22(15-21)31(32,33)34/h4-8,10-11,13-15,19,23,41H,9,12,16-17H2,1-3H3,(H2,35,36)/t19-,23+,30-/m1/s1
InChIKeyUEGUHGPGUSBMLZ-RBQOPQDOSA-N
MW563.62 g/mol
LogP5.76
Rot. Bonds4

About (6R,8aS)-6-[8-amino-1-[4-[(1R)-1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one

(6R,8aS)-6-[8-amino-1-[4-[(1R)-1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one (PubChem CID 121456498) has the molecular formula C31H32F3N5O2 and a molecular weight of 563.62 g/mol. Its IUPAC name is (6R,8aS)-6-[8-amino-1-[4-[(1R)-1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one.

Molecular Properties

Compound Name(6R,8aS)-6-[8-amino-1-[4-[(1R)-1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one
PubChem CID121456498
Molecular FormulaC31H32F3N5O2
Molecular Weight563.62 g/mol
Exact Mass563.25
IUPAC Name(6R,8aS)-6-[8-amino-1-[4-[(1R)-1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one
SMILESCC1(C)C[C@@H]2CC[C@@H](c3nc(-c4ccc([C@@](C)(O)c5cccc(C(F)(F)F)c5)cc4)c4c(N)nccn34)CN2C1=O
InChIInChI=1S/C31H32F3N5O2/c1-29(2)16-23-12-9-19(17-39(23)28(29)40)27-37-24(25-26(35)36-13-14-38(25)27)18-7-10-20(11-8-18)30(3,41)21-5-4-6-22(15-21)31(32,33)34/h4-8,10-11,13-15,19,23,41H,9,12,16-17H2,1-3H3,(H2,35,36)/t19-,23+,30-/m1/s1
InChIKeyUEGUHGPGUSBMLZ-RBQOPQDOSA-N
XLogP5.76
TPSA96.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.62
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (6R,8aS)-6-[8-amino-1-[4-[(1R)-1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R,8aS)-6-[8-amino-1-[4-[(1R)-1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one?
The IUPAC name of (6R,8aS)-6-[8-amino-1-[4-[(1R)-1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one (CID 121456498) is (6R,8aS)-6-[8-amino-1-[4-[(1R)-1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one.
What is the SMILES notation for (6R,8aS)-6-[8-amino-1-[4-[(1R)-1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one?
The canonical SMILES for (6R,8aS)-6-[8-amino-1-[4-[(1R)-1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one is CC1(C)C[C@@H]2CC[C@@H](c3nc(-c4ccc([C@@](C)(O)c5cccc(C(F)(F)F)c5)cc4)c4c(N)nccn34)CN2C1=O.
What is the InChIKey of (6R,8aS)-6-[8-amino-1-[4-[(1R)-1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one?
The InChIKey is UEGUHGPGUSBMLZ-RBQOPQDOSA-N. The full InChI is InChI=1S/C31H32F3N5O2/c1-29(2)16-23-12-9-19(17-39(23)28(29)40)27-37-24(25-26(35)36-13-14-38(25)27)18-7-10-20(11-8-18)30(3,41)21-5-4-6-22(15-21)31(32,33)34/h4-8,10-11,13-15,19,23,41H,9,12,16-17H2,1-3H3,(H2,35,36)/t19-,23+,30-/m1/s1.
What are the key properties of (6R,8aS)-6-[8-amino-1-[4-[(1R)-1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one?
(6R,8aS)-6-[8-amino-1-[4-[(1R)-1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one has a molecular weight of 563.62 g/mol, XLogP of 5.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8aS)-6-[8-amino-1-[4-[(1R)-1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one is sourced from PubChem (CID 121456498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).