1-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-(6-methyl-1,2-dihydropyridin-3-yl)phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine

C23H25Cl2N5O — CID 163837339

About 1-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-(6-methyl-1,2-dihydropyridin-3-yl)phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine

1-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-(6-methyl-1,2-dihydropyridin-3-yl)phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 163837339) has the molecular formula C23H25Cl2N5O and a molecular weight of 458.39 g/mol. Its IUPAC name is 1-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-(6-methyl-1,2-dihydropyridin-3-yl)phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

• Compound Name: 1-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-(6-methyl-1,2-dihydropyridin-3-yl)phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
• PubChem CID: 163837339
• Molecular Formula: C23H25Cl2N5O
• Molecular Weight: 458.39 g/mol
• Exact Mass: 457.14
• IUPAC Name: 1-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-(6-methyl-1,2-dihydropyridin-3-yl)phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
• SMILES: CCOc1c(C(C)c2nc(Cl)c3c(N)nccn23)cc(Cl)c(C)c1C1=CC=C(C)NC1
• InChI: InChI=1S/C23H25Cl2N5O/c1-5-31-20-16(10-17(24)14(4)18(20)15-7-6-12(2)28-11-15)13(3)23-29-21(25)19-22(26)27-8-9-30(19)23/h6-10,13,28H,5,11H2,1-4H3,(H2,26,27)
• InChIKey: OIXGOHKXHZLNDQ-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 77.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.39
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-(6-methyl-1,2-dihydropyridin-3-yl)phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine?

The IUPAC name of 1-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-(6-methyl-1,2-dihydropyridin-3-yl)phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine (CID 163837339) is 1-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-(6-methyl-1,2-dihydropyridin-3-yl)phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine.

What is the SMILES notation for 1-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-(6-methyl-1,2-dihydropyridin-3-yl)phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine?

The canonical SMILES for 1-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-(6-methyl-1,2-dihydropyridin-3-yl)phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine is CCOc1c(C(C)c2nc(Cl)c3c(N)nccn23)cc(Cl)c(C)c1C1=CC=C(C)NC1.

What is the InChIKey of 1-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-(6-methyl-1,2-dihydropyridin-3-yl)phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine?

The InChIKey is OIXGOHKXHZLNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N5O/c1-5-31-20-16(10-17(24)14(4)18(20)15-7-6-12(2)28-11-15)13(3)23-29-21(25)19-22(26)27-8-9-30(19)23/h6-10,13,28H,5,11H2,1-4H3,(H2,26,27).

What are the key properties of 1-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-(6-methyl-1,2-dihydropyridin-3-yl)phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine?

1-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-(6-methyl-1,2-dihydropyridin-3-yl)phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 458.39 g/mol, XLogP of 5.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-(6-methyl-1,2-dihydropyridin-3-yl)phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 163837339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).