[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(3H-pyrrol-2-yl)methanone;1-[4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-(6-methyl-3-pyridinyl)ethanone

C53H50F3N13O3 — CID 157362661

About [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(3H-pyrrol-2-yl)methanone;1-[4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-(6-methyl-3-pyridinyl)ethanone

[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(3H-pyrrol-2-yl)methanone;1-[4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-(6-methyl-3-pyridinyl)ethanone (PubChem CID 157362661) has the molecular formula C53H50F3N13O3 and a molecular weight of 974.07 g/mol. Its IUPAC name is [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(3H-pyrrol-2-yl)methanone;1-[4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-(6-methyl-3-pyridinyl)ethanone.

Molecular Properties

• Compound Name: [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(3H-pyrrol-2-yl)methanone;1-[4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-(6-methyl-3-pyridinyl)ethanone
• PubChem CID: 157362661
• Molecular Formula: C53H50F3N13O3
• Molecular Weight: 974.07 g/mol
• Exact Mass: 973.41
• IUPAC Name: [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(3H-pyrrol-2-yl)methanone;1-[4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-(6-methyl-3-pyridinyl)ethanone
• SMILES: Cc1ccc(CC(=O)C2CCC(c3nc(-c4cc5cccc(OC(F)(F)F)c5[nH]4)c4c(N)nccn34)CC2)cn1.Nc1nccn2c(C3CCN(C(=O)C4=NC=CC4)CC3)nc(-c3cc4ccccc4[nH]3)c12
• InChI: InChI=1S/C29H27F3N6O2.C24H23N7O/c1-16-5-6-17(15-35-16)13-22(39)18-7-9-19(10-8-18)28-37-25(26-27(33)34-11-12-38(26)28)21-14-20-3-2-4-23(24(20)36-21)40-29(30,31)32;25-22-21-20(19-14-16-4-1-2-5-17(16)28-19)29-23(31(21)13-10-27-22)15-7-11-30(12-8-15)24(32)18-6-3-9-26-18/h2-6,11-12,14-15,18-19,36H,7-10,13H2,1H3,(H2,33,34);1-5,9-10,13-15,28H,6-8,11-12H2,(H2,25,27)
• InChIKey: BIUXSCIDMJXORS-UHFFFAOYSA-N
• XLogP: 9.67
• TPSA: 215.86 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	974.07
LogP ≤ 5	9.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(3H-pyrrol-2-yl)methanone;1-[4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-(6-methyl-3-pyridinyl)ethanone?

The IUPAC name of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(3H-pyrrol-2-yl)methanone;1-[4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-(6-methyl-3-pyridinyl)ethanone (CID 157362661) is [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(3H-pyrrol-2-yl)methanone;1-[4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-(6-methyl-3-pyridinyl)ethanone.

What is the SMILES notation for [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(3H-pyrrol-2-yl)methanone;1-[4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-(6-methyl-3-pyridinyl)ethanone?

The canonical SMILES for [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(3H-pyrrol-2-yl)methanone;1-[4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-(6-methyl-3-pyridinyl)ethanone is Cc1ccc(CC(=O)C2CCC(c3nc(-c4cc5cccc(OC(F)(F)F)c5[nH]4)c4c(N)nccn34)CC2)cn1.Nc1nccn2c(C3CCN(C(=O)C4=NC=CC4)CC3)nc(-c3cc4ccccc4[nH]3)c12.

What is the InChIKey of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(3H-pyrrol-2-yl)methanone;1-[4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-(6-methyl-3-pyridinyl)ethanone?

The InChIKey is BIUXSCIDMJXORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F3N6O2.C24H23N7O/c1-16-5-6-17(15-35-16)13-22(39)18-7-9-19(10-8-18)28-37-25(26-27(33)34-11-12-38(26)28)21-14-20-3-2-4-23(24(20)36-21)40-29(30,31)32;25-22-21-20(19-14-16-4-1-2-5-17(16)28-19)29-23(31(21)13-10-27-22)15-7-11-30(12-8-15)24(32)18-6-3-9-26-18/h2-6,11-12,14-15,18-19,36H,7-10,13H2,1H3,(H2,33,34);1-5,9-10,13-15,28H,6-8,11-12H2,(H2,25,27).

What are the key properties of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(3H-pyrrol-2-yl)methanone;1-[4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-(6-methyl-3-pyridinyl)ethanone?

[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(3H-pyrrol-2-yl)methanone;1-[4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-(6-methyl-3-pyridinyl)ethanone has a molecular weight of 974.07 g/mol, XLogP of 9.67, 9 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(3H-pyrrol-2-yl)methanone;1-[4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-(6-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 157362661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).