N-[[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide

C24H24F3N5OS — CID 59133018

IUPACN-[[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
SMILESCC(=O)NCC1CCC(c2nc(-c3cc4cccc(C(F)(F)F)c4s3)c3c(N)nccn23)CC1
InChIInChI=1S/C24H24F3N5OS/c1-13(33)30-12-14-5-7-15(8-6-14)23-31-19(20-22(28)29-9-10-32(20)23)18-11-16-3-2-4-17(21(16)34-18)24(25,26)27/h2-4,9-11,14-15H,5-8,12H2,1H3,(H2,28,29)(H,30,33)
InChIKeyKHLYTDYLUAHMNG-UHFFFAOYSA-N
MW487.55 g/mol
LogP5.62
Rot. Bonds4

About N-[[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide

N-[[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide (PubChem CID 59133018) has the molecular formula C24H24F3N5OS and a molecular weight of 487.55 g/mol. Its IUPAC name is N-[[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
PubChem CID59133018
Molecular FormulaC24H24F3N5OS
Molecular Weight487.55 g/mol
Exact Mass487.17
IUPAC NameN-[[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
SMILESCC(=O)NCC1CCC(c2nc(-c3cc4cccc(C(F)(F)F)c4s3)c3c(N)nccn23)CC1
InChIInChI=1S/C24H24F3N5OS/c1-13(33)30-12-14-5-7-15(8-6-14)23-31-19(20-22(28)29-9-10-32(20)23)18-11-16-3-2-4-17(21(16)34-18)24(25,26)27/h2-4,9-11,14-15H,5-8,12H2,1H3,(H2,28,29)(H,30,33)
InChIKeyKHLYTDYLUAHMNG-UHFFFAOYSA-N
XLogP5.62
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.55
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide?
The IUPAC name of N-[[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide (CID 59133018) is N-[[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide?
The canonical SMILES for N-[[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide is CC(=O)NCC1CCC(c2nc(-c3cc4cccc(C(F)(F)F)c4s3)c3c(N)nccn23)CC1.
What is the InChIKey of N-[[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide?
The InChIKey is KHLYTDYLUAHMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5OS/c1-13(33)30-12-14-5-7-15(8-6-14)23-31-19(20-22(28)29-9-10-32(20)23)18-11-16-3-2-4-17(21(16)34-18)24(25,26)27/h2-4,9-11,14-15H,5-8,12H2,1H3,(H2,28,29)(H,30,33).
What are the key properties of N-[[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide?
N-[[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide has a molecular weight of 487.55 g/mol, XLogP of 5.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide is sourced from PubChem (CID 59133018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).