[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-bromophenyl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-cyclopentylmethanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-methoxyethanone

C73H75BrN18O4 — CID 158069160

About [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-bromophenyl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-cyclopentylmethanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-methoxyethanone

[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-bromophenyl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-cyclopentylmethanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-methoxyethanone (PubChem CID 158069160) has the molecular formula C73H75BrN18O4 and a molecular weight of 1348.43 g/mol. Its IUPAC name is [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-bromophenyl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-cyclopentylmethanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

• Compound Name: [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-bromophenyl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-cyclopentylmethanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-methoxyethanone
• PubChem CID: 158069160
• Molecular Formula: C73H75BrN18O4
• Molecular Weight: 1348.43 g/mol
• Exact Mass: 1346.54
• IUPAC Name: [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-bromophenyl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-cyclopentylmethanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-methoxyethanone
• SMILES: COCC(=O)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.Nc1nccn2c(C3CCN(C(=O)C4CCCC4)CC3)nc(-c3cc4ccccc4[nH]3)c12.Nc1nccn2c(C3CCN(C(=O)c4ccc(Br)cc4)CC3)nc(-c3cc4ccccc4[nH]3)c12
• InChI: InChI=1S/C26H23BrN6O.C25H28N6O.C22H24N6O2/c27-19-7-5-17(6-8-19)26(34)32-12-9-16(10-13-32)25-31-22(23-24(28)29-11-14-33(23)25)21-15-18-3-1-2-4-20(18)30-21;26-23-22-21(20-15-18-7-3-4-8-19(18)28-20)29-24(31(22)14-11-27-23)16-9-12-30(13-10-16)25(32)17-5-1-2-6-17;1-30-13-18(29)27-9-6-14(7-10-27)22-26-19(20-21(23)24-8-11-28(20)22)17-12-15-4-2-3-5-16(15)25-17/h1-8,11,14-16,30H,9-10,12-13H2,(H2,28,29);3-4,7-8,11,14-17,28H,1-2,5-6,9-10,12-13H2,(H2,26,27);2-5,8,11-12,14,25H,6-7,9-10,13H2,1H3,(H2,23,24)
• InChIKey: FLPNPTGCEDGBQO-UHFFFAOYSA-N
• XLogP: 12.41
• TPSA: 286.16 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1348.43
LogP ≤ 5	12.41
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

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]-(4-bromophenyl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-cyclopentylmethanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-methoxyethanone?

The IUPAC name of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-bromophenyl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-cyclopentylmethanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-methoxyethanone (CID 158069160) is [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-bromophenyl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-cyclopentylmethanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-methoxyethanone.

What is the SMILES notation for [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-bromophenyl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-cyclopentylmethanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-methoxyethanone?

The canonical SMILES for [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-bromophenyl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-cyclopentylmethanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.Nc1nccn2c(C3CCN(C(=O)C4CCCC4)CC3)nc(-c3cc4ccccc4[nH]3)c12.Nc1nccn2c(C3CCN(C(=O)c4ccc(Br)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]-(4-bromophenyl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-cyclopentylmethanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-methoxyethanone?

The InChIKey is FLPNPTGCEDGBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23BrN6O.C25H28N6O.C22H24N6O2/c27-19-7-5-17(6-8-19)26(34)32-12-9-16(10-13-32)25-31-22(23-24(28)29-11-14-33(23)25)21-15-18-3-1-2-4-20(18)30-21;26-23-22-21(20-15-18-7-3-4-8-19(18)28-20)29-24(31(22)14-11-27-23)16-9-12-30(13-10-16)25(32)17-5-1-2-6-17;1-30-13-18(29)27-9-6-14(7-10-27)22-26-19(20-21(23)24-8-11-28(20)22)17-12-15-4-2-3-5-16(15)25-17/h1-8,11,14-16,30H,9-10,12-13H2,(H2,28,29);3-4,7-8,11,14-17,28H,1-2,5-6,9-10,12-13H2,(H2,26,27);2-5,8,11-12,14,25H,6-7,9-10,13H2,1H3,(H2,23,24).

What are the key properties of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-bromophenyl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-cyclopentylmethanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-methoxyethanone?

[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-bromophenyl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-cyclopentylmethanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-methoxyethanone has a molecular weight of 1348.43 g/mol, XLogP of 12.41, 10 rotatable bonds, 6 hydrogen bond donors, and 16 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]-(4-bromophenyl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-cyclopentylmethanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 158069160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).