[4-[8-amino-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone

C25H23N5OS2 — CID 59133216

IUPAC[4-[8-amino-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone
SMILESCc1c(-c2nc(C3CCN(C(=O)c4ccsc4)CC3)n3ccnc(N)c23)sc2ccccc12
InChIInChI=1S/C25H23N5OS2/c1-15-18-4-2-3-5-19(18)33-22(15)20-21-23(26)27-9-12-30(21)24(28-20)16-6-10-29(11-7-16)25(31)17-8-13-32-14-17/h2-5,8-9,12-14,16H,6-7,10-11H2,1H3,(H2,26,27)
InChIKeyOCTDKTRBYYTGFY-UHFFFAOYSA-N
MW473.63 g/mol
LogP5.58
Rot. Bonds3

About [4-[8-amino-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone

[4-[8-amino-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 59133216) has the molecular formula C25H23N5OS2 and a molecular weight of 473.63 g/mol. Its IUPAC name is [4-[8-amino-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-[8-amino-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone
PubChem CID59133216
Molecular FormulaC25H23N5OS2
Molecular Weight473.63 g/mol
Exact Mass473.13
IUPAC Name[4-[8-amino-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone
SMILESCc1c(-c2nc(C3CCN(C(=O)c4ccsc4)CC3)n3ccnc(N)c23)sc2ccccc12
InChIInChI=1S/C25H23N5OS2/c1-15-18-4-2-3-5-19(18)33-22(15)20-21-23(26)27-9-12-30(21)24(28-20)16-6-10-29(11-7-16)25(31)17-8-13-32-14-17/h2-5,8-9,12-14,16H,6-7,10-11H2,1H3,(H2,26,27)
InChIKeyOCTDKTRBYYTGFY-UHFFFAOYSA-N
XLogP5.58
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.63
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[8-amino-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-[8-amino-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone (CID 59133216) is [4-[8-amino-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-[8-amino-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-[8-amino-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone is Cc1c(-c2nc(C3CCN(C(=O)c4ccsc4)CC3)n3ccnc(N)c23)sc2ccccc12.
What is the InChIKey of [4-[8-amino-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is OCTDKTRBYYTGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5OS2/c1-15-18-4-2-3-5-19(18)33-22(15)20-21-23(26)27-9-12-30(21)24(28-20)16-6-10-29(11-7-16)25(31)17-8-13-32-14-17/h2-5,8-9,12-14,16H,6-7,10-11H2,1H3,(H2,26,27).
What are the key properties of [4-[8-amino-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone?
[4-[8-amino-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 473.63 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[8-amino-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 59133216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).