[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(4-ethylpiperazin-1-yl)methanone

C25H32ClFN6O2 — CID 138462906

About [5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(4-ethylpiperazin-1-yl)methanone

[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 138462906) has the molecular formula C25H32ClFN6O2 and a molecular weight of 503.02 g/mol. Its IUPAC name is [5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

• Compound Name: [5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(4-ethylpiperazin-1-yl)methanone
• PubChem CID: 138462906
• Molecular Formula: C25H32ClFN6O2
• Molecular Weight: 503.02 g/mol
• Exact Mass: 502.23
• IUPAC Name: [5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(4-ethylpiperazin-1-yl)methanone
• SMILES: CCN1CCN(C(=O)c2c(F)c(Cl)cc(C(C)c3nc(C)c4c(N)nccn34)c2OC(C)C)CC1
• InChI: InChI=1S/C25H32ClFN6O2/c1-6-31-9-11-32(12-10-31)25(34)19-20(27)18(26)13-17(22(19)35-14(2)3)15(4)24-30-16(5)21-23(28)29-7-8-33(21)24/h7-8,13-15H,6,9-12H2,1-5H3,(H2,28,29)
• InChIKey: AXFNTQGQQYRBNQ-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 88.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.02
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	1
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-2-fluoro-6-propan-2-yloxyphenyl]-(4-ethylpiperazin-1-yl)methanone?

The IUPAC name of [5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(4-ethylpiperazin-1-yl)methanone (CID 138462906) is [5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(4-ethylpiperazin-1-yl)methanone.

What is the SMILES notation for [5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(4-ethylpiperazin-1-yl)methanone?

The canonical SMILES for [5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2c(F)c(Cl)cc(C(C)c3nc(C)c4c(N)nccn34)c2OC(C)C)CC1.

What is the InChIKey of [5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(4-ethylpiperazin-1-yl)methanone?

The InChIKey is AXFNTQGQQYRBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClFN6O2/c1-6-31-9-11-32(12-10-31)25(34)19-20(27)18(26)13-17(22(19)35-14(2)3)15(4)24-30-16(5)21-23(28)29-7-8-33(21)24/h7-8,13-15H,6,9-12H2,1-5H3,(H2,28,29).

What are the key properties of [5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(4-ethylpiperazin-1-yl)methanone?

[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 503.02 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 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-2-fluoro-6-propan-2-yloxyphenyl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 138462906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).