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]-3-cyano-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide

C28H23F3N8O2 — CID 76901046

IUPAC4-[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]-3-cyano-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESN#Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccn2)ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12
InChIInChI=1S/C28H23F3N8O2/c29-28(30,31)18-7-8-34-21(12-18)36-27(41)15-2-5-20(17(11-15)13-32)23-24-25(33)35-9-10-38(24)26(37-23)16-1-3-19-4-6-22(40)39(19)14-16/h2,5,7-12,16,19H,1,3-4,6,14H2,(H2,33,35)(H,34,36,41)/t16-,19+/m1/s1
InChIKeyKZJQGMAQZXHIHD-APWZRJJASA-N
MW560.54 g/mol
LogP4.38
Rot. Bonds4

About 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]-3-cyano-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide

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]-3-cyano-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 76901046) has the molecular formula C28H23F3N8O2 and a molecular weight of 560.54 g/mol. Its IUPAC name is 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]-3-cyano-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[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]-3-cyano-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID76901046
Molecular FormulaC28H23F3N8O2
Molecular Weight560.54 g/mol
Exact Mass560.19
IUPAC Name4-[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]-3-cyano-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESN#Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccn2)ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12
InChIInChI=1S/C28H23F3N8O2/c29-28(30,31)18-7-8-34-21(12-18)36-27(41)15-2-5-20(17(11-15)13-32)23-24-25(33)35-9-10-38(24)26(37-23)16-1-3-19-4-6-22(40)39(19)14-16/h2,5,7-12,16,19H,1,3-4,6,14H2,(H2,33,35)(H,34,36,41)/t16-,19+/m1/s1
InChIKeyKZJQGMAQZXHIHD-APWZRJJASA-N
XLogP4.38
TPSA142.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.54
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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]-3-cyano-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide 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 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]-3-cyano-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of 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]-3-cyano-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (CID 76901046) is 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]-3-cyano-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 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]-3-cyano-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 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]-3-cyano-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is N#Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccn2)ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12.
What is the InChIKey of 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]-3-cyano-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is KZJQGMAQZXHIHD-APWZRJJASA-N. The full InChI is InChI=1S/C28H23F3N8O2/c29-28(30,31)18-7-8-34-21(12-18)36-27(41)15-2-5-20(17(11-15)13-32)23-24-25(33)35-9-10-38(24)26(37-23)16-1-3-19-4-6-22(40)39(19)14-16/h2,5,7-12,16,19H,1,3-4,6,14H2,(H2,33,35)(H,34,36,41)/t16-,19+/m1/s1.
What are the key properties of 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]-3-cyano-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
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]-3-cyano-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 560.54 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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]-3-cyano-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 76901046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).