butyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;(2-chlorophenyl)methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;2-methylpropyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate

C75H81ClN18O6 — CID 158933718

About butyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;(2-chlorophenyl)methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;2-methylpropyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate

butyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;(2-chlorophenyl)methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;2-methylpropyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate (PubChem CID 158933718) has the molecular formula C75H81ClN18O6 and a molecular weight of 1366.05 g/mol. Its IUPAC name is butyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;(2-chlorophenyl)methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;2-methylpropyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: butyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;(2-chlorophenyl)methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;2-methylpropyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate
• PubChem CID: 158933718
• Molecular Formula: C75H81ClN18O6
• Molecular Weight: 1366.05 g/mol
• Exact Mass: 1364.63
• IUPAC Name: butyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;(2-chlorophenyl)methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;2-methylpropyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate
• SMILES: CC(C)COC(=O)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.CCCCOC(=O)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.Nc1nccn2c(C3CCN(C(=O)OCc4ccccc4Cl)CC3)nc(-c3cc4ccccc4[nH]3)c12
• InChI: InChI=1S/C27H25ClN6O2.2C24H28N6O2/c28-20-7-3-1-6-19(20)16-36-27(35)33-12-9-17(10-13-33)26-32-23(24-25(29)30-11-14-34(24)26)22-15-18-5-2-4-8-21(18)31-22;1-15(2)14-32-24(31)29-10-7-16(8-11-29)23-28-20(21-22(25)26-9-12-30(21)23)19-13-17-5-3-4-6-18(17)27-19;1-2-3-14-32-24(31)29-11-8-16(9-12-29)23-28-20(21-22(25)26-10-13-30(21)23)19-15-17-6-4-5-7-18(17)27-19/h1-8,11,14-15,17,31H,9-10,12-13,16H2,(H2,29,30);3-6,9,12-13,15-16,27H,7-8,10-11,14H2,1-2H3,(H2,25,26);4-7,10,13,15-16,27H,2-3,8-9,11-12,14H2,1H3,(H2,25,26)
• InChIKey: JJJRXRPAKUDKQP-UHFFFAOYSA-N
• XLogP: 14.64
• TPSA: 304.62 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1366.05
LogP ≤ 5	14.64
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of butyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;(2-chlorophenyl)methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;2-methylpropyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate?

The IUPAC name of butyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;(2-chlorophenyl)methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;2-methylpropyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate (CID 158933718) is butyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;(2-chlorophenyl)methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;2-methylpropyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate.

What is the SMILES notation for butyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;(2-chlorophenyl)methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;2-methylpropyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate?

The canonical SMILES for butyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;(2-chlorophenyl)methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;2-methylpropyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate is CC(C)COC(=O)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.CCCCOC(=O)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.Nc1nccn2c(C3CCN(C(=O)OCc4ccccc4Cl)CC3)nc(-c3cc4ccccc4[nH]3)c12.

What is the InChIKey of butyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;(2-chlorophenyl)methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;2-methylpropyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate?

The InChIKey is JJJRXRPAKUDKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN6O2.2C24H28N6O2/c28-20-7-3-1-6-19(20)16-36-27(35)33-12-9-17(10-13-33)26-32-23(24-25(29)30-11-14-34(24)26)22-15-18-5-2-4-8-21(18)31-22;1-15(2)14-32-24(31)29-10-7-16(8-11-29)23-28-20(21-22(25)26-9-12-30(21)23)19-13-17-5-3-4-6-18(17)27-19;1-2-3-14-32-24(31)29-11-8-16(9-12-29)23-28-20(21-22(25)26-10-13-30(21)23)19-15-17-6-4-5-7-18(17)27-19/h1-8,11,14-15,17,31H,9-10,12-13,16H2,(H2,29,30);3-6,9,12-13,15-16,27H,7-8,10-11,14H2,1-2H3,(H2,25,26);4-7,10,13,15-16,27H,2-3,8-9,11-12,14H2,1H3,(H2,25,26).

What are the key properties of butyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;(2-chlorophenyl)methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;2-methylpropyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate?

butyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;(2-chlorophenyl)methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;2-methylpropyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate has a molecular weight of 1366.05 g/mol, XLogP of 14.64, 13 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for butyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;(2-chlorophenyl)methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;2-methylpropyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 158933718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).