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

C28H28FN5O2 — CID 121456560

IUPAC(6R,8aS)-6-[8-amino-1-[4-[1-(3-fluorophenyl)-1-hydroxyethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCC(O)(c1ccc(-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)cc1)c1cccc(F)c1
InChIInChI=1S/C28H28FN5O2/c1-28(36,20-3-2-4-21(29)15-20)19-8-5-17(6-9-19)24-25-26(30)31-13-14-33(25)27(32-24)18-7-10-22-11-12-23(35)34(22)16-18/h2-6,8-9,13-15,18,22,36H,7,10-12,16H2,1H3,(H2,30,31)/t18-,22+,28?/m1/s1
InChIKeyNTFCXLFOYYSOBK-GPDABROOSA-N
MW485.56 g/mol
LogP4.24
Rot. Bonds4

About (6R,8aS)-6-[8-amino-1-[4-[1-(3-fluorophenyl)-1-hydroxyethyl]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-[4-[1-(3-fluorophenyl)-1-hydroxyethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 121456560) has the molecular formula C28H28FN5O2 and a molecular weight of 485.56 g/mol. Its IUPAC name is (6R,8aS)-6-[8-amino-1-[4-[1-(3-fluorophenyl)-1-hydroxyethyl]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-[4-[1-(3-fluorophenyl)-1-hydroxyethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
PubChem CID121456560
Molecular FormulaC28H28FN5O2
Molecular Weight485.56 g/mol
Exact Mass485.22
IUPAC Name(6R,8aS)-6-[8-amino-1-[4-[1-(3-fluorophenyl)-1-hydroxyethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCC(O)(c1ccc(-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)cc1)c1cccc(F)c1
InChIInChI=1S/C28H28FN5O2/c1-28(36,20-3-2-4-21(29)15-20)19-8-5-17(6-9-19)24-25-26(30)31-13-14-33(25)27(32-24)18-7-10-22-11-12-23(35)34(22)16-18/h2-6,8-9,13-15,18,22,36H,7,10-12,16H2,1H3,(H2,30,31)/t18-,22+,28?/m1/s1
InChIKeyNTFCXLFOYYSOBK-GPDABROOSA-N
XLogP4.24
TPSA96.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (6R,8aS)-6-[8-amino-1-[4-[1-(3-fluorophenyl)-1-hydroxyethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-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-[1-(3-fluorophenyl)-1-hydroxyethyl]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-[4-[1-(3-fluorophenyl)-1-hydroxyethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (CID 121456560) is (6R,8aS)-6-[8-amino-1-[4-[1-(3-fluorophenyl)-1-hydroxyethyl]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-[4-[1-(3-fluorophenyl)-1-hydroxyethyl]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-[4-[1-(3-fluorophenyl)-1-hydroxyethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is CC(O)(c1ccc(-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)cc1)c1cccc(F)c1.
What is the InChIKey of (6R,8aS)-6-[8-amino-1-[4-[1-(3-fluorophenyl)-1-hydroxyethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The InChIKey is NTFCXLFOYYSOBK-GPDABROOSA-N. The full InChI is InChI=1S/C28H28FN5O2/c1-28(36,20-3-2-4-21(29)15-20)19-8-5-17(6-9-19)24-25-26(30)31-13-14-33(25)27(32-24)18-7-10-22-11-12-23(35)34(22)16-18/h2-6,8-9,13-15,18,22,36H,7,10-12,16H2,1H3,(H2,30,31)/t18-,22+,28?/m1/s1.
What are the key properties of (6R,8aS)-6-[8-amino-1-[4-[1-(3-fluorophenyl)-1-hydroxyethyl]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-[4-[1-(3-fluorophenyl)-1-hydroxyethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one has a molecular weight of 485.56 g/mol, XLogP of 4.24, 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-[1-(3-fluorophenyl)-1-hydroxyethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is sourced from PubChem (CID 121456560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).