[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-pyrrolidin-1-ylmethanone

C22H25ClFN5O2 — CID 138463143

About [5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-pyrrolidin-1-ylmethanone

[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-pyrrolidin-1-ylmethanone (PubChem CID 138463143) has the molecular formula C22H25ClFN5O2 and a molecular weight of 445.93 g/mol. Its IUPAC name is [5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

• Compound Name: [5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-pyrrolidin-1-ylmethanone
• PubChem CID: 138463143
• Molecular Formula: C22H25ClFN5O2
• Molecular Weight: 445.93 g/mol
• Exact Mass: 445.17
• IUPAC Name: [5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-pyrrolidin-1-ylmethanone
• SMILES: Cc1nc(Cc2cc(Cl)c(F)c(C(=O)N3CCCC3)c2OC(C)C)n2ccnc(N)c12
• InChI: InChI=1S/C22H25ClFN5O2/c1-12(2)31-20-14(11-16-27-13(3)19-21(25)26-6-9-29(16)19)10-15(23)18(24)17(20)22(30)28-7-4-5-8-28/h6,9-10,12H,4-5,7-8,11H2,1-3H3,(H2,25,26)
• InChIKey: LCODDLMMCTYCQH-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 85.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.93
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-pyrrolidin-1-ylmethanone?

The IUPAC name of [5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-pyrrolidin-1-ylmethanone (CID 138463143) is [5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-pyrrolidin-1-ylmethanone.

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

The canonical SMILES for [5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-pyrrolidin-1-ylmethanone is Cc1nc(Cc2cc(Cl)c(F)c(C(=O)N3CCCC3)c2OC(C)C)n2ccnc(N)c12.

What is the InChIKey of [5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-pyrrolidin-1-ylmethanone?

The InChIKey is LCODDLMMCTYCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN5O2/c1-12(2)31-20-14(11-16-27-13(3)19-21(25)26-6-9-29(16)19)10-15(23)18(24)17(20)22(30)28-7-4-5-8-28/h6,9-10,12H,4-5,7-8,11H2,1-3H3,(H2,25,26).

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

[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 445.93 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 138463143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).