N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-1H-indole-3-carboxamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]quinoline-2-carboxamide;1-(4-chloro-1H-indol-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine

C₁₀₉H₁₀₀Cl₂FN₂₅O₃S — CID 158215175

About N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-1H-indole-3-carboxamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]quinoline-2-carboxamide;1-(4-chloro-1H-indol-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine

N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-1H-indole-3-carboxamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]quinoline-2-carboxamide;1-(4-chloro-1H-indol-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine (PubChem CID 158215175) has the molecular formula C₁₀₉H₁₀₀Cl₂FN₂₅O₃S and a molecular weight of 1930.14 g/mol. Its IUPAC name is N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-1H-indole-3-carboxamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]quinoline-2-carboxamide;1-(4-chloro-1H-indol-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

• Compound Name: N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-1H-indole-3-carboxamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]quinoline-2-carboxamide;1-(4-chloro-1H-indol-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
• PubChem CID: 158215175
• Molecular Formula: C₁₀₉H₁₀₀Cl₂FN₂₅O₃S
• Molecular Weight: 1930.14 g/mol
• Exact Mass: 1927.75
• IUPAC Name: N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-1H-indole-3-carboxamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]quinoline-2-carboxamide;1-(4-chloro-1H-indol-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
• SMILES: Nc1nccn2c(C3CCC(CNC(=O)c4c[nH]c5ccccc45)CC3)nc(-c3cc4ccccc4[nH]3)c12.Nc1nccn2c(C3CCC(CNC(=O)c4ccc5ccccc5n4)CC3)nc(-c3cc4ccccc4[nH]3)c12.Nc1nccn2c(C3CCC(CNC(=O)c4sc5cc(F)ccc5c4Cl)CC3)nc(-c3cc4ccccc4[nH]3)c12.Nc1nccn2c(C3CCC3)nc(-c3cc4c(Cl)cccc4[nH]3)c12
• InChI: InChI=1S/C31H29N7O.C30H26ClFN6OS.C30H29N7O.C18H16ClN5/c32-29-28-27(26-17-22-6-2-4-8-24(22)36-26)37-30(38(28)16-15-33-29)21-11-9-19(10-12-21)18-34-31(39)25-14-13-20-5-1-3-7-23(20)35-25;31-24-20-10-9-19(32)14-23(20)40-27(24)30(39)35-15-16-5-7-17(8-6-16)29-37-25(26-28(33)34-11-12-38(26)29)22-13-18-3-1-2-4-21(18)36-22;31-28-27-26(25-15-20-5-1-3-7-23(20)35-25)36-29(37(27)14-13-32-28)19-11-9-18(10-12-19)16-34-30(38)22-17-33-24-8-4-2-6-21(22)24;19-12-5-2-6-13-11(12)9-14(22-13)15-16-17(20)21-7-8-24(16)18(23-15)10-3-1-4-10/h1-8,13-17,19,21,36H,9-12,18H2,(H2,32,33)(H,34,39);1-4,9-14,16-17,36H,5-8,15H2,(H2,33,34)(H,35,39);1-8,13-15,17-19,33,35H,9-12,16H2,(H2,31,32)(H,34,38);2,5-10,22H,1,3-4H2,(H2,20,21)
• InChIKey: GCOGWTCDFMCPKF-UHFFFAOYSA-N
• XLogP: 22.91
• TPSA: 403.98 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 21
• Rotatable Bonds: 17
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1930.14
LogP ≤ 5	22.91
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-1H-indole-3-carboxamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]quinoline-2-carboxamide;1-(4-chloro-1H-indol-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine?

The IUPAC name of N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-1H-indole-3-carboxamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]quinoline-2-carboxamide;1-(4-chloro-1H-indol-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine (CID 158215175) is N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-1H-indole-3-carboxamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]quinoline-2-carboxamide;1-(4-chloro-1H-indol-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine.

What is the SMILES notation for N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-1H-indole-3-carboxamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]quinoline-2-carboxamide;1-(4-chloro-1H-indol-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine?

The canonical SMILES for N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-1H-indole-3-carboxamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]quinoline-2-carboxamide;1-(4-chloro-1H-indol-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine is Nc1nccn2c(C3CCC(CNC(=O)c4c[nH]c5ccccc45)CC3)nc(-c3cc4ccccc4[nH]3)c12.Nc1nccn2c(C3CCC(CNC(=O)c4ccc5ccccc5n4)CC3)nc(-c3cc4ccccc4[nH]3)c12.Nc1nccn2c(C3CCC(CNC(=O)c4sc5cc(F)ccc5c4Cl)CC3)nc(-c3cc4ccccc4[nH]3)c12.Nc1nccn2c(C3CCC3)nc(-c3cc4c(Cl)cccc4[nH]3)c12.

What is the InChIKey of N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-1H-indole-3-carboxamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]quinoline-2-carboxamide;1-(4-chloro-1H-indol-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine?

The InChIKey is GCOGWTCDFMCPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N7O.C30H26ClFN6OS.C30H29N7O.C18H16ClN5/c32-29-28-27(26-17-22-6-2-4-8-24(22)36-26)37-30(38(28)16-15-33-29)21-11-9-19(10-12-21)18-34-31(39)25-14-13-20-5-1-3-7-23(20)35-25;31-24-20-10-9-19(32)14-23(20)40-27(24)30(39)35-15-16-5-7-17(8-6-16)29-37-25(26-28(33)34-11-12-38(26)29)22-13-18-3-1-2-4-21(18)36-22;31-28-27-26(25-15-20-5-1-3-7-23(20)35-25)36-29(37(27)14-13-32-28)19-11-9-18(10-12-19)16-34-30(38)22-17-33-24-8-4-2-6-21(22)24;19-12-5-2-6-13-11(12)9-14(22-13)15-16-17(20)21-7-8-24(16)18(23-15)10-3-1-4-10/h1-8,13-17,19,21,36H,9-12,18H2,(H2,32,33)(H,34,39);1-4,9-14,16-17,36H,5-8,15H2,(H2,33,34)(H,35,39);1-8,13-15,17-19,33,35H,9-12,16H2,(H2,31,32)(H,34,38);2,5-10,22H,1,3-4H2,(H2,20,21).

What are the key properties of N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-1H-indole-3-carboxamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]quinoline-2-carboxamide;1-(4-chloro-1H-indol-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine?

N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-1H-indole-3-carboxamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]quinoline-2-carboxamide;1-(4-chloro-1H-indol-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine has a molecular weight of 1930.14 g/mol, XLogP of 22.91, 17 rotatable bonds, 12 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-1H-indole-3-carboxamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]quinoline-2-carboxamide;1-(4-chloro-1H-indol-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 158215175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158215175 — identifiers, structure, computed properties (public domain)

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