1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-2-ylethanone

C25H24N6OS — CID 16678350

IUPAC1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESNc1nccn2c(C3CCN(C(=O)Cc4cccs4)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C25H24N6OS/c26-24-23-22(20-14-17-4-1-2-6-19(17)28-20)29-25(31(23)12-9-27-24)16-7-10-30(11-8-16)21(32)15-18-5-3-13-33-18/h1-6,9,12-14,16,28H,7-8,10-11,15H2,(H2,26,27)
InChIKeyJSQOOMVHGWTTKZ-UHFFFAOYSA-N
MW456.58 g/mol
LogP4.47
Rot. Bonds4

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

1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 16678350) has the molecular formula C25H24N6OS and a molecular weight of 456.58 g/mol. Its IUPAC name is 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID16678350
Molecular FormulaC25H24N6OS
Molecular Weight456.58 g/mol
Exact Mass456.17
IUPAC Name1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESNc1nccn2c(C3CCN(C(=O)Cc4cccs4)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C25H24N6OS/c26-24-23-22(20-14-17-4-1-2-6-19(17)28-20)29-25(31(23)12-9-27-24)16-7-10-30(11-8-16)21(32)15-18-5-3-13-33-18/h1-6,9,12-14,16,28H,7-8,10-11,15H2,(H2,26,27)
InChIKeyJSQOOMVHGWTTKZ-UHFFFAOYSA-N
XLogP4.47
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.58
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-2-ylethanone (CID 16678350) is 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-2-ylethanone is Nc1nccn2c(C3CCN(C(=O)Cc4cccs4)CC3)nc(-c3cc4ccccc4[nH]3)c12.
What is the InChIKey of 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is JSQOOMVHGWTTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6OS/c26-24-23-22(20-14-17-4-1-2-6-19(17)28-20)29-25(31(23)12-9-27-24)16-7-10-30(11-8-16)21(32)15-18-5-3-13-33-18/h1-6,9,12-14,16,28H,7-8,10-11,15H2,(H2,26,27).
What are the key properties of 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-2-ylethanone?
1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 456.58 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 16678350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).