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

C29H27F3N6O3 — CID 121456517

IUPAC2-[4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-2-hydroxy-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESNC(=O)C(O)(c1ccc(-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C29H27F3N6O3/c30-29(31,32)20-3-1-2-19(14-20)28(41,27(34)40)18-7-4-16(5-8-18)23-24-25(33)35-12-13-37(24)26(36-23)17-6-9-21-10-11-22(39)38(21)15-17/h1-5,7-8,12-14,17,21,41H,6,9-11,15H2,(H2,33,35)(H2,34,40)/t17-,21+,28?/m1/s1
InChIKeyPVNWZXCAZZUDCU-DGERBDQKSA-N
MW564.57 g/mol
LogP3.59
Rot. Bonds5

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

2-[4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-2-hydroxy-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 121456517) has the molecular formula C29H27F3N6O3 and a molecular weight of 564.57 g/mol. Its IUPAC name is 2-[4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-2-hydroxy-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-2-hydroxy-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID121456517
Molecular FormulaC29H27F3N6O3
Molecular Weight564.57 g/mol
Exact Mass564.21
IUPAC Name2-[4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-2-hydroxy-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESNC(=O)C(O)(c1ccc(-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C29H27F3N6O3/c30-29(31,32)20-3-1-2-19(14-20)28(41,27(34)40)18-7-4-16(5-8-18)23-24-25(33)35-12-13-37(24)26(36-23)17-6-9-21-10-11-22(39)38(21)15-17/h1-5,7-8,12-14,17,21,41H,6,9-11,15H2,(H2,33,35)(H2,34,40)/t17-,21+,28?/m1/s1
InChIKeyPVNWZXCAZZUDCU-DGERBDQKSA-N
XLogP3.59
TPSA139.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.57
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-2-hydroxy-2-[3-(trifluoromethyl)phenyl]acetamide 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 2-[4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-2-hydroxy-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-2-hydroxy-2-[3-(trifluoromethyl)phenyl]acetamide (CID 121456517) is 2-[4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-2-hydroxy-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-2-hydroxy-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-2-hydroxy-2-[3-(trifluoromethyl)phenyl]acetamide is NC(=O)C(O)(c1ccc(-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-2-hydroxy-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is PVNWZXCAZZUDCU-DGERBDQKSA-N. The full InChI is InChI=1S/C29H27F3N6O3/c30-29(31,32)20-3-1-2-19(14-20)28(41,27(34)40)18-7-4-16(5-8-18)23-24-25(33)35-12-13-37(24)26(36-23)17-6-9-21-10-11-22(39)38(21)15-17/h1-5,7-8,12-14,17,21,41H,6,9-11,15H2,(H2,33,35)(H2,34,40)/t17-,21+,28?/m1/s1.
What are the key properties of 2-[4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-2-hydroxy-2-[3-(trifluoromethyl)phenyl]acetamide?
2-[4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-2-hydroxy-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 564.57 g/mol, XLogP of 3.59, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-2-hydroxy-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 121456517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).