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

C24H30FN5O3 — CID 138462854

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

[3-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-6-fluoro-2-propan-2-yloxyphenyl]-(3-methoxypyrrolidin-1-yl)methanone (PubChem CID 138462854) has the molecular formula C24H30FN5O3 and a molecular weight of 455.53 g/mol. Its IUPAC name is [3-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-6-fluoro-2-propan-2-yloxyphenyl]-(3-methoxypyrrolidin-1-yl)methanone.

Molecular Properties

• Compound Name: [3-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-6-fluoro-2-propan-2-yloxyphenyl]-(3-methoxypyrrolidin-1-yl)methanone
• PubChem CID: 138462854
• Molecular Formula: C24H30FN5O3
• Molecular Weight: 455.53 g/mol
• Exact Mass: 455.23
• IUPAC Name: [3-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-6-fluoro-2-propan-2-yloxyphenyl]-(3-methoxypyrrolidin-1-yl)methanone
• SMILES: COC1CCN(C(=O)c2c(F)ccc(C(C)c3nc(C)c4c(N)nccn34)c2OC(C)C)C1
• InChI: InChI=1S/C24H30FN5O3/c1-13(2)33-21-17(14(3)23-28-15(4)20-22(26)27-9-11-30(20)23)6-7-18(25)19(21)24(31)29-10-8-16(12-29)32-5/h6-7,9,11,13-14,16H,8,10,12H2,1-5H3,(H2,26,27)
• InChIKey: GRJKAXYYBPBKBU-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 94.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.53
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [3-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-6-fluoro-2-propan-2-yloxyphenyl]-(3-methoxypyrrolidin-1-yl)methanone?

The IUPAC name of [3-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-6-fluoro-2-propan-2-yloxyphenyl]-(3-methoxypyrrolidin-1-yl)methanone (CID 138462854) is [3-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-6-fluoro-2-propan-2-yloxyphenyl]-(3-methoxypyrrolidin-1-yl)methanone.

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

The canonical SMILES for [3-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-6-fluoro-2-propan-2-yloxyphenyl]-(3-methoxypyrrolidin-1-yl)methanone is COC1CCN(C(=O)c2c(F)ccc(C(C)c3nc(C)c4c(N)nccn34)c2OC(C)C)C1.

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

The InChIKey is GRJKAXYYBPBKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O3/c1-13(2)33-21-17(14(3)23-28-15(4)20-22(26)27-9-11-30(20)23)6-7-18(25)19(21)24(31)29-10-8-16(12-29)32-5/h6-7,9,11,13-14,16H,8,10,12H2,1-5H3,(H2,26,27).

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

[3-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-6-fluoro-2-propan-2-yloxyphenyl]-(3-methoxypyrrolidin-1-yl)methanone has a molecular weight of 455.53 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-6-fluoro-2-propan-2-yloxyphenyl]-(3-methoxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 138462854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).