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]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide

C25H23F3N8O2 — CID 76903331

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]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
SMILESNc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)[nH]n4)cc3)c12
InChIInChI=1S/C25H23F3N8O2/c26-25(27,28)17-11-18(34-33-17)31-24(38)14-3-1-13(2-4-14)20-21-22(29)30-9-10-35(21)23(32-20)15-5-6-16-7-8-19(37)36(16)12-15/h1-4,9-11,15-16H,5-8,12H2,(H2,29,30)(H2,31,33,34,38)/t15-,16+/m1/s1
InChIKeyNFIRQZVHVAXKLW-CVEARBPZSA-N
MW524.51 g/mol
LogP3.84
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]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]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]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide (PubChem CID 76903331) has the molecular formula C25H23F3N8O2 and a molecular weight of 524.51 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]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]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]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
PubChem CID76903331
Molecular FormulaC25H23F3N8O2
Molecular Weight524.51 g/mol
Exact Mass524.19
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]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
SMILESNc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)[nH]n4)cc3)c12
InChIInChI=1S/C25H23F3N8O2/c26-25(27,28)17-11-18(34-33-17)31-24(38)14-3-1-13(2-4-14)20-21-22(29)30-9-10-35(21)23(32-20)15-5-6-16-7-8-19(37)36(16)12-15/h1-4,9-11,15-16H,5-8,12H2,(H2,29,30)(H2,31,33,34,38)/t15-,16+/m1/s1
InChIKeyNFIRQZVHVAXKLW-CVEARBPZSA-N
XLogP3.84
TPSA134.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.51
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide with MolForge

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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]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]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]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide (CID 76903331) 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]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]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]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]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]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide is Nc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)[nH]n4)cc3)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]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide?
The InChIKey is NFIRQZVHVAXKLW-CVEARBPZSA-N. The full InChI is InChI=1S/C25H23F3N8O2/c26-25(27,28)17-11-18(34-33-17)31-24(38)14-3-1-13(2-4-14)20-21-22(29)30-9-10-35(21)23(32-20)15-5-6-16-7-8-19(37)36(16)12-15/h1-4,9-11,15-16H,5-8,12H2,(H2,29,30)(H2,31,33,34,38)/t15-,16+/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]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]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]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide has a molecular weight of 524.51 g/mol, XLogP of 3.84, 4 rotatable bonds, 3 hydrogen bond donors, and 7 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]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide is sourced from PubChem (CID 76903331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).