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

C24H21N5OS2 — CID 59261385

IUPAC[4-[8-amino-1-(1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone
SMILESNc1nccn2c(C3CCN(C(=O)c4ccsc4)CC3)nc(-c3cc4ccccc4s3)c12
InChIInChI=1S/C24H21N5OS2/c25-22-21-20(19-13-16-3-1-2-4-18(16)32-19)27-23(29(21)11-8-26-22)15-5-9-28(10-6-15)24(30)17-7-12-31-14-17/h1-4,7-8,11-15H,5-6,9-10H2,(H2,25,26)
InChIKeyLBFWTFFGJMZHGE-UHFFFAOYSA-N
MW459.60 g/mol
LogP5.27
Rot. Bonds3

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

[4-[8-amino-1-(1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 59261385) has the molecular formula C24H21N5OS2 and a molecular weight of 459.60 g/mol. Its IUPAC name is [4-[8-amino-1-(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-(1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone
PubChem CID59261385
Molecular FormulaC24H21N5OS2
Molecular Weight459.60 g/mol
Exact Mass459.12
IUPAC Name[4-[8-amino-1-(1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone
SMILESNc1nccn2c(C3CCN(C(=O)c4ccsc4)CC3)nc(-c3cc4ccccc4s3)c12
InChIInChI=1S/C24H21N5OS2/c25-22-21-20(19-13-16-3-1-2-4-18(16)32-19)27-23(29(21)11-8-26-22)15-5-9-28(10-6-15)24(30)17-7-12-31-14-17/h1-4,7-8,11-15H,5-6,9-10H2,(H2,25,26)
InChIKeyLBFWTFFGJMZHGE-UHFFFAOYSA-N
XLogP5.27
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.60
LogP ≤ 55.27
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-(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-(1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone (CID 59261385) is [4-[8-amino-1-(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-(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-(1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone is Nc1nccn2c(C3CCN(C(=O)c4ccsc4)CC3)nc(-c3cc4ccccc4s3)c12.
What is the InChIKey of [4-[8-amino-1-(1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is LBFWTFFGJMZHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5OS2/c25-22-21-20(19-13-16-3-1-2-4-18(16)32-19)27-23(29(21)11-8-26-22)15-5-9-28(10-6-15)24(30)17-7-12-31-14-17/h1-4,7-8,11-15H,5-6,9-10H2,(H2,25,26).
What are the key properties of [4-[8-amino-1-(1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone?
[4-[8-amino-1-(1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 459.60 g/mol, XLogP of 5.27, 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-(1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 59261385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).