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

C27H28ClFN6O2 — CID 134600973

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

[5-[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 134600973) has the molecular formula C27H28ClFN6O2 and a molecular weight of 523.01 g/mol. Its IUPAC name is [5-[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

• Compound Name: [5-[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
• PubChem CID: 134600973
• Molecular Formula: C27H28ClFN6O2
• Molecular Weight: 523.01 g/mol
• Exact Mass: 522.19
• IUPAC Name: [5-[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
• SMILES: Cc1nc(Cc2cc(Cl)c(F)c(-c3ccc(C(=O)N4CCCC4)nc3)c2OC(C)C)n2ccnc(N)c12
• InChI: InChI=1S/C27H28ClFN6O2/c1-15(2)37-25-18(13-21-33-16(3)24-26(30)31-8-11-35(21)24)12-19(28)23(29)22(25)17-6-7-20(32-14-17)27(36)34-9-4-5-10-34/h6-8,11-12,14-15H,4-5,9-10,13H2,1-3H3,(H2,30,31)
• InChIKey: BCSFXSSNCMPTOK-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 98.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.01
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [5-[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone (CID 134600973) is [5-[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone.

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

The canonical SMILES for [5-[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone is Cc1nc(Cc2cc(Cl)c(F)c(-c3ccc(C(=O)N4CCCC4)nc3)c2OC(C)C)n2ccnc(N)c12.

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

The InChIKey is BCSFXSSNCMPTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClFN6O2/c1-15(2)37-25-18(13-21-33-16(3)24-26(30)31-8-11-35(21)24)12-19(28)23(29)22(25)17-6-7-20(32-14-17)27(36)34-9-4-5-10-34/h6-8,11-12,14-15H,4-5,9-10,13H2,1-3H3,(H2,30,31).

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

[5-[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 523.01 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 134600973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).