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]formamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2-phenylcyclopropane-1-carboxamide

C83H82ClFN18O3S — CID 161031318

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]formamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2-phenylcyclopropane-1-carboxamide

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]formamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 161031318) has the molecular formula C83H82ClFN18O3S and a molecular weight of 1466.21 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]formamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2-phenylcyclopropane-1-carboxamide.

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]formamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2-phenylcyclopropane-1-carboxamide
• PubChem CID: 161031318
• Molecular Formula: C83H82ClFN18O3S
• Molecular Weight: 1466.21 g/mol
• Exact Mass: 1464.62
• 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]formamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2-phenylcyclopropane-1-carboxamide
• SMILES: Nc1nccn2c(C3CCC(CNC(=O)C4CC4c4ccccc4)CC3)nc(-c3cc4ccccc4[nH]3)c12.Nc1nccn2c(C3CCC(CNC(=O)c4sc5cc(F)ccc5c4Cl)CC3)nc(-c3cc4ccccc4[nH]3)c12.Nc1nccn2c(C3CCC(CNC=O)CC3)nc(-c3cc4ccccc4[nH]3)c12
• InChI: InChI=1S/C31H32N6O.C30H26ClFN6OS.C22H24N6O/c32-29-28-27(26-16-22-8-4-5-9-25(22)35-26)36-30(37(28)15-14-33-29)21-12-10-19(11-13-21)18-34-31(38)24-17-23(24)20-6-2-1-3-7-20;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;23-21-20-19(18-11-16-3-1-2-4-17(16)26-18)27-22(28(20)10-9-25-21)15-7-5-14(6-8-15)12-24-13-29/h1-9,14-16,19,21,23-24,35H,10-13,17-18H2,(H2,32,33)(H,34,38);1-4,9-14,16-17,36H,5-8,15H2,(H2,33,34)(H,35,39);1-4,9-11,13-15,26H,5-8,12H2,(H2,23,25)(H,24,29)
• InChIKey: TZQRSFABMRATSG-UHFFFAOYSA-N
• XLogP: 16.30
• TPSA: 303.30 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1466.21
LogP ≤ 5	16.30
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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]formamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2-phenylcyclopropane-1-carboxamide?

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]formamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2-phenylcyclopropane-1-carboxamide (CID 161031318) 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]formamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2-phenylcyclopropane-1-carboxamide.

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]formamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2-phenylcyclopropane-1-carboxamide?

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]formamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2-phenylcyclopropane-1-carboxamide is Nc1nccn2c(C3CCC(CNC(=O)C4CC4c4ccccc4)CC3)nc(-c3cc4ccccc4[nH]3)c12.Nc1nccn2c(C3CCC(CNC(=O)c4sc5cc(F)ccc5c4Cl)CC3)nc(-c3cc4ccccc4[nH]3)c12.Nc1nccn2c(C3CCC(CNC=O)CC3)nc(-c3cc4ccccc4[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]formamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2-phenylcyclopropane-1-carboxamide?

The InChIKey is TZQRSFABMRATSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N6O.C30H26ClFN6OS.C22H24N6O/c32-29-28-27(26-16-22-8-4-5-9-25(22)35-26)36-30(37(28)15-14-33-29)21-12-10-19(11-13-21)18-34-31(38)24-17-23(24)20-6-2-1-3-7-20;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;23-21-20-19(18-11-16-3-1-2-4-17(16)26-18)27-22(28(20)10-9-25-21)15-7-5-14(6-8-15)12-24-13-29/h1-9,14-16,19,21,23-24,35H,10-13,17-18H2,(H2,32,33)(H,34,38);1-4,9-14,16-17,36H,5-8,15H2,(H2,33,34)(H,35,39);1-4,9-11,13-15,26H,5-8,12H2,(H2,23,25)(H,24,29).

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]formamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2-phenylcyclopropane-1-carboxamide?

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]formamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 1466.21 g/mol, XLogP of 16.30, 16 rotatable bonds, 9 hydrogen bond donors, and 16 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]formamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 161031318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).