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

C75H75ClN18O3S2 — CID 158758935

About 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-3-(3-chlorophenyl)propan-1-one;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-methylsulfanylethanone;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]-3-(3-chlorophenyl)propan-1-one;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-methylsulfanylethanone;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 158758935) has the molecular formula C75H75ClN18O3S2 and a molecular weight of 1376.13 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]-3-(3-chlorophenyl)propan-1-one;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-methylsulfanylethanone;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 Name: 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-3-(3-chlorophenyl)propan-1-one;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-methylsulfanylethanone;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: 158758935
• Molecular Formula: C75H75ClN18O3S2
• Molecular Weight: 1376.13 g/mol
• Exact Mass: 1374.54
• IUPAC Name: 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-3-(3-chlorophenyl)propan-1-one;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-methylsulfanylethanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
• SMILES: CSCC(=O)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.Nc1nccn2c(C3CCN(C(=O)CCc4cccc(Cl)c4)CC3)nc(-c3cc4ccccc4[nH]3)c12.Nc1nccn2c(C3CCN(C(=O)Cc4cccs4)CC3)nc(-c3cc4ccccc4[nH]3)c12
• InChI: InChI=1S/C28H27ClN6O.C25H24N6OS.C22H24N6OS/c29-21-6-3-4-18(16-21)8-9-24(36)34-13-10-19(11-14-34)28-33-25(26-27(30)31-12-15-35(26)28)23-17-20-5-1-2-7-22(20)32-23;26-24-23-22(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;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/h1-7,12,15-17,19,32H,8-11,13-14H2,(H2,30,31);1-6,9,12-14,16,28H,7-8,10-11,15H2,(H2,26,27);2-5,8,11-12,14,25H,6-7,9-10,13H2,1H3,(H2,23,24)
• InChIKey: IOKPIDZHOIZXGJ-UHFFFAOYSA-N
• XLogP: 13.45
• TPSA: 276.93 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1376.13
LogP ≤ 5	13.45
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

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]-3-(3-chlorophenyl)propan-1-one;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-methylsulfanylethanone;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]-3-(3-chlorophenyl)propan-1-one;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-methylsulfanylethanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-2-ylethanone (CID 158758935) is 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-3-(3-chlorophenyl)propan-1-one;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-methylsulfanylethanone;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]-3-(3-chlorophenyl)propan-1-one;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-methylsulfanylethanone;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]-3-(3-chlorophenyl)propan-1-one;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-methylsulfanylethanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-2-ylethanone is CSCC(=O)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.Nc1nccn2c(C3CCN(C(=O)CCc4cccc(Cl)c4)CC3)nc(-c3cc4ccccc4[nH]3)c12.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]-3-(3-chlorophenyl)propan-1-one;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-methylsulfanylethanone;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 IOKPIDZHOIZXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClN6O.C25H24N6OS.C22H24N6OS/c29-21-6-3-4-18(16-21)8-9-24(36)34-13-10-19(11-14-34)28-33-25(26-27(30)31-12-15-35(26)28)23-17-20-5-1-2-7-22(20)32-23;26-24-23-22(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;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/h1-7,12,15-17,19,32H,8-11,13-14H2,(H2,30,31);1-6,9,12-14,16,28H,7-8,10-11,15H2,(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 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-3-(3-chlorophenyl)propan-1-one;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-methylsulfanylethanone;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]-3-(3-chlorophenyl)propan-1-one;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-methylsulfanylethanone;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 1376.13 g/mol, XLogP of 13.45, 13 rotatable bonds, 6 hydrogen bond donors, and 17 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]-3-(3-chlorophenyl)propan-1-one;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-methylsulfanylethanone;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 158758935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).