2-[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]propan-2-ol;[4-[8-amino-1-(7-cyclopropyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone

C75H73ClF3N17O4S2 — CID 158711182

About 2-[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]propan-2-ol;[4-[8-amino-1-(7-cyclopropyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone

2-[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]propan-2-ol;[4-[8-amino-1-(7-cyclopropyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 158711182) has the molecular formula C75H73ClF3N17O4S2 and a molecular weight of 1433.10 g/mol. Its IUPAC name is 2-[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]propan-2-ol;[4-[8-amino-1-(7-cyclopropyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

• Compound Name: 2-[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]propan-2-ol;[4-[8-amino-1-(7-cyclopropyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone
• PubChem CID: 158711182
• Molecular Formula: C75H73ClF3N17O4S2
• Molecular Weight: 1433.10 g/mol
• Exact Mass: 1431.51
• IUPAC Name: 2-[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]propan-2-ol;[4-[8-amino-1-(7-cyclopropyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone
• SMILES: CC(C)(O)C1CCC(c2nc(-c3cc4cccc(Cl)c4[nH]3)c3c(N)nccn23)CC1.Nc1nccn2c(C3CCN(C(=O)c4ccsc4)CC3)nc(-c3cc4cccc(C5CC5)c4[nH]3)c12.Nc1nccn2c(C3CCN(C(=O)c4ccsc4)CC3)nc(-c3cc4cccc(OC(F)(F)F)c4[nH]3)c12
• InChI: InChI=1S/C27H26N6OS.C25H21F3N6O2S.C23H26ClN5O/c28-25-24-23(21-14-18-2-1-3-20(16-4-5-16)22(18)30-21)31-26(33(24)12-9-29-25)17-6-10-32(11-7-17)27(34)19-8-13-35-15-19;26-25(27,28)36-18-3-1-2-15-12-17(31-19(15)18)20-21-22(29)30-7-10-34(21)23(32-20)14-4-8-33(9-5-14)24(35)16-6-11-37-13-16;1-23(2,30)15-8-6-13(7-9-15)22-28-19(20-21(25)26-10-11-29(20)22)17-12-14-4-3-5-16(24)18(14)27-17/h1-3,8-9,12-17,30H,4-7,10-11H2,(H2,28,29);1-3,6-7,10-14,31H,4-5,8-9H2,(H2,29,30);3-5,10-13,15,27,30H,6-9H2,1-2H3,(H2,25,26)
• InChIKey: IISUSPVJHCHIOP-UHFFFAOYSA-N
• XLogP: 16.02
• TPSA: 286.08 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1433.10
LogP ≤ 5	16.02
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2-[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]propan-2-ol;[4-[8-amino-1-(7-cyclopropyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone?

The IUPAC name of 2-[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]propan-2-ol;[4-[8-amino-1-(7-cyclopropyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone (CID 158711182) is 2-[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]propan-2-ol;[4-[8-amino-1-(7-cyclopropyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone.

What is the SMILES notation for 2-[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]propan-2-ol;[4-[8-amino-1-(7-cyclopropyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone?

The canonical SMILES for 2-[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]propan-2-ol;[4-[8-amino-1-(7-cyclopropyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone is CC(C)(O)C1CCC(c2nc(-c3cc4cccc(Cl)c4[nH]3)c3c(N)nccn23)CC1.Nc1nccn2c(C3CCN(C(=O)c4ccsc4)CC3)nc(-c3cc4cccc(C5CC5)c4[nH]3)c12.Nc1nccn2c(C3CCN(C(=O)c4ccsc4)CC3)nc(-c3cc4cccc(OC(F)(F)F)c4[nH]3)c12.

What is the InChIKey of 2-[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]propan-2-ol;[4-[8-amino-1-(7-cyclopropyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone?

The InChIKey is IISUSPVJHCHIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6OS.C25H21F3N6O2S.C23H26ClN5O/c28-25-24-23(21-14-18-2-1-3-20(16-4-5-16)22(18)30-21)31-26(33(24)12-9-29-25)17-6-10-32(11-7-17)27(34)19-8-13-35-15-19;26-25(27,28)36-18-3-1-2-15-12-17(31-19(15)18)20-21-22(29)30-7-10-34(21)23(32-20)14-4-8-33(9-5-14)24(35)16-6-11-37-13-16;1-23(2,30)15-8-6-13(7-9-15)22-28-19(20-21(25)26-10-11-29(20)22)17-12-14-4-3-5-16(24)18(14)27-17/h1-3,8-9,12-17,30H,4-7,10-11H2,(H2,28,29);1-3,6-7,10-14,31H,4-5,8-9H2,(H2,29,30);3-5,10-13,15,27,30H,6-9H2,1-2H3,(H2,25,26).

What are the key properties of 2-[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]propan-2-ol;[4-[8-amino-1-(7-cyclopropyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone?

2-[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]propan-2-ol;[4-[8-amino-1-(7-cyclopropyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 1433.10 g/mol, XLogP of 16.02, 11 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]propan-2-ol;[4-[8-amino-1-(7-cyclopropyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 158711182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).