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)-1,2-oxazol-3-yl]benzamide

C25H22F3N7O3 — CID 90283636

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)-1,2-oxazol-3-yl]benzamide
SMILESNc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)on4)cc3)c12
InChIInChI=1S/C25H22F3N7O3/c26-25(27,28)17-11-18(33-38-17)31-24(37)14-3-1-13(2-4-14)20-21-22(29)30-9-10-34(21)23(32-20)15-5-6-16-7-8-19(36)35(16)12-15/h1-4,9-11,15-16H,5-8,12H2,(H2,29,30)(H,31,33,37)/t15-,16+/m1/s1
InChIKeyGYRKJAMIFFPGAP-CVEARBPZSA-N
MW525.49 g/mol
LogP4.11
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)-1,2-oxazol-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)-1,2-oxazol-3-yl]benzamide (PubChem CID 90283636) has the molecular formula C25H22F3N7O3 and a molecular weight of 525.49 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)-1,2-oxazol-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)-1,2-oxazol-3-yl]benzamide
PubChem CID90283636
Molecular FormulaC25H22F3N7O3
Molecular Weight525.49 g/mol
Exact Mass525.17
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)-1,2-oxazol-3-yl]benzamide
SMILESNc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)on4)cc3)c12
InChIInChI=1S/C25H22F3N7O3/c26-25(27,28)17-11-18(33-38-17)31-24(37)14-3-1-13(2-4-14)20-21-22(29)30-9-10-34(21)23(32-20)15-5-6-16-7-8-19(36)35(16)12-15/h1-4,9-11,15-16H,5-8,12H2,(H2,29,30)(H,31,33,37)/t15-,16+/m1/s1
InChIKeyGYRKJAMIFFPGAP-CVEARBPZSA-N
XLogP4.11
TPSA131.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.49
LogP ≤ 54.11
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]-N-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzamide with MolForge

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Related Compounds

CID 71226662
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CID 76902377
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CID 77105257
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CID 77106038
CID 77106038
CID 71607919
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CID 162653279
CID 162653279
CID 162662103
CID 162662103

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)-1,2-oxazol-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)-1,2-oxazol-3-yl]benzamide (CID 90283636) 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)-1,2-oxazol-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)-1,2-oxazol-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)-1,2-oxazol-3-yl]benzamide is Nc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)on4)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)-1,2-oxazol-3-yl]benzamide?
The InChIKey is GYRKJAMIFFPGAP-CVEARBPZSA-N. The full InChI is InChI=1S/C25H22F3N7O3/c26-25(27,28)17-11-18(33-38-17)31-24(37)14-3-1-13(2-4-14)20-21-22(29)30-9-10-34(21)23(32-20)15-5-6-16-7-8-19(36)35(16)12-15/h1-4,9-11,15-16H,5-8,12H2,(H2,29,30)(H,31,33,37)/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)-1,2-oxazol-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)-1,2-oxazol-3-yl]benzamide has a molecular weight of 525.49 g/mol, XLogP of 4.11, 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]-N-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzamide is sourced from PubChem (CID 90283636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).