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

C32H32F3N5O2 — CID 121464604

IUPAC(6R,8aS)-6-[8-amino-1-[2-cyclopropyl-4-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCC(O)(c1cccc(C(F)(F)F)c1)c1ccc(-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)c(C2CC2)c1
InChIInChI=1S/C32H32F3N5O2/c1-31(42,20-3-2-4-22(15-20)32(33,34)35)21-8-11-24(25(16-21)18-5-6-18)27-28-29(36)37-13-14-39(28)30(38-27)19-7-9-23-10-12-26(41)40(23)17-19/h2-4,8,11,13-16,18-19,23,42H,5-7,9-10,12,17H2,1H3,(H2,36,37)/t19-,23+,31?/m1/s1
InChIKeyONXWJQGPFKRQLR-IDOJXJNGSA-N
MW575.64 g/mol
LogP6.00
Rot. Bonds5

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

(6R,8aS)-6-[8-amino-1-[2-cyclopropyl-4-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 121464604) has the molecular formula C32H32F3N5O2 and a molecular weight of 575.64 g/mol. Its IUPAC name is (6R,8aS)-6-[8-amino-1-[2-cyclopropyl-4-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name(6R,8aS)-6-[8-amino-1-[2-cyclopropyl-4-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
PubChem CID121464604
Molecular FormulaC32H32F3N5O2
Molecular Weight575.64 g/mol
Exact Mass575.25
IUPAC Name(6R,8aS)-6-[8-amino-1-[2-cyclopropyl-4-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCC(O)(c1cccc(C(F)(F)F)c1)c1ccc(-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)c(C2CC2)c1
InChIInChI=1S/C32H32F3N5O2/c1-31(42,20-3-2-4-22(15-20)32(33,34)35)21-8-11-24(25(16-21)18-5-6-18)27-28-29(36)37-13-14-39(28)30(38-27)19-7-9-23-10-12-26(41)40(23)17-19/h2-4,8,11,13-16,18-19,23,42H,5-7,9-10,12,17H2,1H3,(H2,36,37)/t19-,23+,31?/m1/s1
InChIKeyONXWJQGPFKRQLR-IDOJXJNGSA-N
XLogP6.00
TPSA96.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.64
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of (6R,8aS)-6-[8-amino-1-[2-cyclopropyl-4-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The IUPAC name of (6R,8aS)-6-[8-amino-1-[2-cyclopropyl-4-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (CID 121464604) is (6R,8aS)-6-[8-amino-1-[2-cyclopropyl-4-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.
What is the SMILES notation for (6R,8aS)-6-[8-amino-1-[2-cyclopropyl-4-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The canonical SMILES for (6R,8aS)-6-[8-amino-1-[2-cyclopropyl-4-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is CC(O)(c1cccc(C(F)(F)F)c1)c1ccc(-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)c(C2CC2)c1.
What is the InChIKey of (6R,8aS)-6-[8-amino-1-[2-cyclopropyl-4-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The InChIKey is ONXWJQGPFKRQLR-IDOJXJNGSA-N. The full InChI is InChI=1S/C32H32F3N5O2/c1-31(42,20-3-2-4-22(15-20)32(33,34)35)21-8-11-24(25(16-21)18-5-6-18)27-28-29(36)37-13-14-39(28)30(38-27)19-7-9-23-10-12-26(41)40(23)17-19/h2-4,8,11,13-16,18-19,23,42H,5-7,9-10,12,17H2,1H3,(H2,36,37)/t19-,23+,31?/m1/s1.
What are the key properties of (6R,8aS)-6-[8-amino-1-[2-cyclopropyl-4-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
(6R,8aS)-6-[8-amino-1-[2-cyclopropyl-4-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one has a molecular weight of 575.64 g/mol, XLogP of 6.00, 5 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-[2-cyclopropyl-4-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is sourced from PubChem (CID 121464604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).