5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[2-(dimethylamino)ethyl]-2-fluoro-6-propan-2-yloxybenzamide

C23H30ClFN6O2 — CID 138462790

About 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[2-(dimethylamino)ethyl]-2-fluoro-6-propan-2-yloxybenzamide

5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[2-(dimethylamino)ethyl]-2-fluoro-6-propan-2-yloxybenzamide (PubChem CID 138462790) has the molecular formula C23H30ClFN6O2 and a molecular weight of 476.98 g/mol. Its IUPAC name is 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[2-(dimethylamino)ethyl]-2-fluoro-6-propan-2-yloxybenzamide.

Molecular Properties

• Compound Name: 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[2-(dimethylamino)ethyl]-2-fluoro-6-propan-2-yloxybenzamide
• PubChem CID: 138462790
• Molecular Formula: C23H30ClFN6O2
• Molecular Weight: 476.98 g/mol
• Exact Mass: 476.21
• IUPAC Name: 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[2-(dimethylamino)ethyl]-2-fluoro-6-propan-2-yloxybenzamide
• SMILES: Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NCCN(C)C)c2OC(C)C)n2ccnc(N)c12
• InChI: InChI=1S/C23H30ClFN6O2/c1-12(2)33-20-15(11-16(24)18(25)17(20)23(32)28-7-9-30(5)6)13(3)22-29-14(4)19-21(26)27-8-10-31(19)22/h8,10-13H,7,9H2,1-6H3,(H2,26,27)(H,28,32)
• InChIKey: LVRSSHBMLMYAQW-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 97.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.98
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[2-(dimethylamino)ethyl]-2-fluoro-6-propan-2-yloxybenzamide?

The IUPAC name of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[2-(dimethylamino)ethyl]-2-fluoro-6-propan-2-yloxybenzamide (CID 138462790) is 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[2-(dimethylamino)ethyl]-2-fluoro-6-propan-2-yloxybenzamide.

What is the SMILES notation for 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[2-(dimethylamino)ethyl]-2-fluoro-6-propan-2-yloxybenzamide?

The canonical SMILES for 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[2-(dimethylamino)ethyl]-2-fluoro-6-propan-2-yloxybenzamide is Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NCCN(C)C)c2OC(C)C)n2ccnc(N)c12.

What is the InChIKey of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[2-(dimethylamino)ethyl]-2-fluoro-6-propan-2-yloxybenzamide?

The InChIKey is LVRSSHBMLMYAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClFN6O2/c1-12(2)33-20-15(11-16(24)18(25)17(20)23(32)28-7-9-30(5)6)13(3)22-29-14(4)19-21(26)27-8-10-31(19)22/h8,10-13H,7,9H2,1-6H3,(H2,26,27)(H,28,32).

What are the key properties of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[2-(dimethylamino)ethyl]-2-fluoro-6-propan-2-yloxybenzamide?

5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[2-(dimethylamino)ethyl]-2-fluoro-6-propan-2-yloxybenzamide has a molecular weight of 476.98 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[2-(dimethylamino)ethyl]-2-fluoro-6-propan-2-yloxybenzamide is sourced from PubChem (CID 138462790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).