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

C34H33N5O2 — CID 134477018

About (6R,8aS)-6-[8-amino-1-[4-[1-hydroxy-1-(3-phenylphenyl)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-[4-[1-hydroxy-1-(3-phenylphenyl)ethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 134477018) has the molecular formula C34H33N5O2 and a molecular weight of 543.67 g/mol. Its IUPAC name is (6R,8aS)-6-[8-amino-1-[4-[1-hydroxy-1-(3-phenylphenyl)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-[4-[1-hydroxy-1-(3-phenylphenyl)ethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
• PubChem CID: 134477018
• Molecular Formula: C34H33N5O2
• Molecular Weight: 543.67 g/mol
• Exact Mass: 543.26
• IUPAC Name: (6R,8aS)-6-[8-amino-1-[4-[1-hydroxy-1-(3-phenylphenyl)ethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
• SMILES: CC(O)(c1ccc(-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)cc1)c1cccc(-c2ccccc2)c1
• InChI: InChI=1S/C34H33N5O2/c1-34(41,27-9-5-8-24(20-27)22-6-3-2-4-7-22)26-13-10-23(11-14-26)30-31-32(35)36-18-19-38(31)33(37-30)25-12-15-28-16-17-29(40)39(28)21-25/h2-11,13-14,18-20,25,28,41H,12,15-17,21H2,1H3,(H2,35,36)/t25-,28+,34?/m1/s1
• InChIKey: RGQOLQKGNAJICK-QOYJLXTCSA-N
• XLogP: 5.77
• TPSA: 96.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.67
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (6R,8aS)-6-[8-amino-1-[4-[1-hydroxy-1-(3-phenylphenyl)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-[4-[1-hydroxy-1-(3-phenylphenyl)ethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (CID 134477018) is (6R,8aS)-6-[8-amino-1-[4-[1-hydroxy-1-(3-phenylphenyl)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-[4-[1-hydroxy-1-(3-phenylphenyl)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-[4-[1-hydroxy-1-(3-phenylphenyl)ethyl]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(-c2ccccc2)c1.

What is the InChIKey of (6R,8aS)-6-[8-amino-1-[4-[1-hydroxy-1-(3-phenylphenyl)ethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?

The InChIKey is RGQOLQKGNAJICK-QOYJLXTCSA-N. The full InChI is InChI=1S/C34H33N5O2/c1-34(41,27-9-5-8-24(20-27)22-6-3-2-4-7-22)26-13-10-23(11-14-26)30-31-32(35)36-18-19-38(31)33(37-30)25-12-15-28-16-17-29(40)39(28)21-25/h2-11,13-14,18-20,25,28,41H,12,15-17,21H2,1H3,(H2,35,36)/t25-,28+,34?/m1/s1.

What are the key properties of (6R,8aS)-6-[8-amino-1-[4-[1-hydroxy-1-(3-phenylphenyl)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-[4-[1-hydroxy-1-(3-phenylphenyl)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 543.67 g/mol, XLogP of 5.77, 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-[4-[1-hydroxy-1-(3-phenylphenyl)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 134477018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).