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

C25H31ClFN5O3 — CID 138462903

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

[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 138462903) has the molecular formula C25H31ClFN5O3 and a molecular weight of 504.01 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]-(2,6-dimethylmorpholin-4-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]-(2,6-dimethylmorpholin-4-yl)methanone
• PubChem CID: 138462903
• Molecular Formula: C25H31ClFN5O3
• Molecular Weight: 504.01 g/mol
• Exact Mass: 503.21
• IUPAC Name: [5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2,6-dimethylmorpholin-4-yl)methanone
• SMILES: Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)N3CC(C)OC(C)C3)c2OC(C)C)n2ccnc(N)c12
• InChI: InChI=1S/C25H31ClFN5O3/c1-12(2)34-22-17(15(5)24-30-16(6)21-23(28)29-7-8-32(21)24)9-18(26)20(27)19(22)25(33)31-10-13(3)35-14(4)11-31/h7-9,12-15H,10-11H2,1-6H3,(H2,28,29)
• InChIKey: FGCSMTXXEWXMSQ-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 94.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.01
LogP ≤ 5	4.60
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]-(2,6-dimethylmorpholin-4-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]-(2,6-dimethylmorpholin-4-yl)methanone (CID 138462903) is [5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2,6-dimethylmorpholin-4-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]-(2,6-dimethylmorpholin-4-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]-(2,6-dimethylmorpholin-4-yl)methanone is Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)N3CC(C)OC(C)C3)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-2-fluoro-6-propan-2-yloxyphenyl]-(2,6-dimethylmorpholin-4-yl)methanone?

The InChIKey is FGCSMTXXEWXMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClFN5O3/c1-12(2)34-22-17(15(5)24-30-16(6)21-23(28)29-7-8-32(21)24)9-18(26)20(27)19(22)25(33)31-10-13(3)35-14(4)11-31/h7-9,12-15H,10-11H2,1-6H3,(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]-(2,6-dimethylmorpholin-4-yl)methanone?

[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 504.01 g/mol, XLogP of 4.60, 5 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]-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 138462903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).