[4-(8-amino-1-quinolin-7-ylimidazo[1,5-a]pyrazin-3-yl)piperidin-1-yl]-thiophen-3-ylmethanone

C25H22N6OS — CID 59133193

IUPAC[4-(8-amino-1-quinolin-7-ylimidazo[1,5-a]pyrazin-3-yl)piperidin-1-yl]-thiophen-3-ylmethanone
SMILESNc1nccn2c(C3CCN(C(=O)c4ccsc4)CC3)nc(-c3ccc4cccnc4c3)c12
InChIInChI=1S/C25H22N6OS/c26-23-22-21(18-4-3-16-2-1-8-27-20(16)14-18)29-24(31(22)12-9-28-23)17-5-10-30(11-6-17)25(32)19-7-13-33-15-19/h1-4,7-9,12-15,17H,5-6,10-11H2,(H2,26,28)
InChIKeyJXSWDWZTELKNGM-UHFFFAOYSA-N
MW454.56 g/mol
LogP4.61
Rot. Bonds3

About [4-(8-amino-1-quinolin-7-ylimidazo[1,5-a]pyrazin-3-yl)piperidin-1-yl]-thiophen-3-ylmethanone

[4-(8-amino-1-quinolin-7-ylimidazo[1,5-a]pyrazin-3-yl)piperidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 59133193) has the molecular formula C25H22N6OS and a molecular weight of 454.56 g/mol. Its IUPAC name is [4-(8-amino-1-quinolin-7-ylimidazo[1,5-a]pyrazin-3-yl)piperidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-(8-amino-1-quinolin-7-ylimidazo[1,5-a]pyrazin-3-yl)piperidin-1-yl]-thiophen-3-ylmethanone
PubChem CID59133193
Molecular FormulaC25H22N6OS
Molecular Weight454.56 g/mol
Exact Mass454.16
IUPAC Name[4-(8-amino-1-quinolin-7-ylimidazo[1,5-a]pyrazin-3-yl)piperidin-1-yl]-thiophen-3-ylmethanone
SMILESNc1nccn2c(C3CCN(C(=O)c4ccsc4)CC3)nc(-c3ccc4cccnc4c3)c12
InChIInChI=1S/C25H22N6OS/c26-23-22-21(18-4-3-16-2-1-8-27-20(16)14-18)29-24(31(22)12-9-28-23)17-5-10-30(11-6-17)25(32)19-7-13-33-15-19/h1-4,7-9,12-15,17H,5-6,10-11H2,(H2,26,28)
InChIKeyJXSWDWZTELKNGM-UHFFFAOYSA-N
XLogP4.61
TPSA89.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.56
LogP ≤ 54.61
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-quinolin-7-ylimidazo[1,5-a]pyrazin-3-yl)piperidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-(8-amino-1-quinolin-7-ylimidazo[1,5-a]pyrazin-3-yl)piperidin-1-yl]-thiophen-3-ylmethanone (CID 59133193) is [4-(8-amino-1-quinolin-7-ylimidazo[1,5-a]pyrazin-3-yl)piperidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-(8-amino-1-quinolin-7-ylimidazo[1,5-a]pyrazin-3-yl)piperidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-(8-amino-1-quinolin-7-ylimidazo[1,5-a]pyrazin-3-yl)piperidin-1-yl]-thiophen-3-ylmethanone is Nc1nccn2c(C3CCN(C(=O)c4ccsc4)CC3)nc(-c3ccc4cccnc4c3)c12.
What is the InChIKey of [4-(8-amino-1-quinolin-7-ylimidazo[1,5-a]pyrazin-3-yl)piperidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is JXSWDWZTELKNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6OS/c26-23-22-21(18-4-3-16-2-1-8-27-20(16)14-18)29-24(31(22)12-9-28-23)17-5-10-30(11-6-17)25(32)19-7-13-33-15-19/h1-4,7-9,12-15,17H,5-6,10-11H2,(H2,26,28).
What are the key properties of [4-(8-amino-1-quinolin-7-ylimidazo[1,5-a]pyrazin-3-yl)piperidin-1-yl]-thiophen-3-ylmethanone?
[4-(8-amino-1-quinolin-7-ylimidazo[1,5-a]pyrazin-3-yl)piperidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 454.56 g/mol, XLogP of 4.61, 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-quinolin-7-ylimidazo[1,5-a]pyrazin-3-yl)piperidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 59133193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).