N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2-(2,6-dichloro-5-fluoro-3-pyridinyl)acetamide

C28H26Cl2FN7O — CID 16679554

About N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2-(2,6-dichloro-5-fluoro-3-pyridinyl)acetamide

N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2-(2,6-dichloro-5-fluoro-3-pyridinyl)acetamide (PubChem CID 16679554) has the molecular formula C28H26Cl2FN7O and a molecular weight of 566.47 g/mol. Its IUPAC name is N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2-(2,6-dichloro-5-fluoro-3-pyridinyl)acetamide.

Molecular Properties

• Compound Name: N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2-(2,6-dichloro-5-fluoro-3-pyridinyl)acetamide
• PubChem CID: 16679554
• Molecular Formula: C28H26Cl2FN7O
• Molecular Weight: 566.47 g/mol
• Exact Mass: 565.16
• IUPAC Name: N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2-(2,6-dichloro-5-fluoro-3-pyridinyl)acetamide
• SMILES: Nc1nccn2c(C3CCC(CNC(=O)Cc4cc(F)c(Cl)nc4Cl)CC3)nc(-c3cc4ccccc4[nH]3)c12
• InChI: InChI=1S/C28H26Cl2FN7O/c29-25-18(11-19(31)26(30)37-25)13-22(39)34-14-15-5-7-16(8-6-15)28-36-23(24-27(32)33-9-10-38(24)28)21-12-17-3-1-2-4-20(17)35-21/h1-4,9-12,15-16,35H,5-8,13-14H2,(H2,32,33)(H,34,39)
• InChIKey: RGEODYPTAVGWHX-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 113.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.47
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', '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]-2-(2,6-dichloro-5-fluoro-3-pyridinyl)acetamide?

The IUPAC name of N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2-(2,6-dichloro-5-fluoro-3-pyridinyl)acetamide (CID 16679554) is N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2-(2,6-dichloro-5-fluoro-3-pyridinyl)acetamide.

What is the SMILES notation for N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2-(2,6-dichloro-5-fluoro-3-pyridinyl)acetamide?

The canonical SMILES for N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2-(2,6-dichloro-5-fluoro-3-pyridinyl)acetamide is Nc1nccn2c(C3CCC(CNC(=O)Cc4cc(F)c(Cl)nc4Cl)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]-2-(2,6-dichloro-5-fluoro-3-pyridinyl)acetamide?

The InChIKey is RGEODYPTAVGWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Cl2FN7O/c29-25-18(11-19(31)26(30)37-25)13-22(39)34-14-15-5-7-16(8-6-15)28-36-23(24-27(32)33-9-10-38(24)28)21-12-17-3-1-2-4-20(17)35-21/h1-4,9-12,15-16,35H,5-8,13-14H2,(H2,32,33)(H,34,39).

What are the key properties of N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2-(2,6-dichloro-5-fluoro-3-pyridinyl)acetamide?

N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2-(2,6-dichloro-5-fluoro-3-pyridinyl)acetamide has a molecular weight of 566.47 g/mol, XLogP of 5.93, 6 rotatable bonds, 3 hydrogen bond donors, and 6 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]-2-(2,6-dichloro-5-fluoro-3-pyridinyl)acetamide is sourced from PubChem (CID 16679554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).