4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-8-(hydroxymethyl)imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-(4-methyl-2-pyridinyl)benzamide;4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-8-(hydroxymethyl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-[4-[8-(fluoromethyl)-3-[(2S)-1-prop-1-ynylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-[4-[8-(hydroxymethyl)-3-[(2S)-1-prop-1-ynylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone

C113H102F6N22O9 — CID 161242424

About 4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-8-(hydroxymethyl)imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-(4-methyl-2-pyridinyl)benzamide;4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-8-(hydroxymethyl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-[4-[8-(fluoromethyl)-3-[(2S)-1-prop-1-ynylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-[4-[8-(hydroxymethyl)-3-[(2S)-1-prop-1-ynylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone

4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-8-(hydroxymethyl)imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-(4-methyl-2-pyridinyl)benzamide;4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-8-(hydroxymethyl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-[4-[8-(fluoromethyl)-3-[(2S)-1-prop-1-ynylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-[4-[8-(hydroxymethyl)-3-[(2S)-1-prop-1-ynylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone (PubChem CID 161242424) has the molecular formula C113H102F6N22O9 and a molecular weight of 2026.19 g/mol. Its IUPAC name is 4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-8-(hydroxymethyl)imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-(4-methyl-2-pyridinyl)benzamide;4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-8-(hydroxymethyl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-[4-[8-(fluoromethyl)-3-[(2S)-1-prop-1-ynylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-[4-[8-(hydroxymethyl)-3-[(2S)-1-prop-1-ynylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone.

Molecular Properties

• Compound Name: 4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-8-(hydroxymethyl)imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-(4-methyl-2-pyridinyl)benzamide;4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-8-(hydroxymethyl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-[4-[8-(fluoromethyl)-3-[(2S)-1-prop-1-ynylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-[4-[8-(hydroxymethyl)-3-[(2S)-1-prop-1-ynylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone
• PubChem CID: 161242424
• Molecular Formula: C113H102F6N22O9
• Molecular Weight: 2026.19 g/mol
• Exact Mass: 2024.81
• IUPAC Name: 4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-8-(hydroxymethyl)imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-(4-methyl-2-pyridinyl)benzamide;4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-8-(hydroxymethyl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-[4-[8-(fluoromethyl)-3-[(2S)-1-prop-1-ynylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-[4-[8-(hydroxymethyl)-3-[(2S)-1-prop-1-ynylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone
• SMILES: CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(C)ccn3)cc2F)c2c(CO)nccn12.CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(CO)nccn12.CC#CN1CCC[C@H]1c1nc(-c2ccc(C(=O)Cc3cc(C(C)(F)F)ccn3)cc2)c2c(CF)nccn12.CC#CN1CCC[C@H]1c1nc(-c2ccc(C(=O)Cc3cc(C(C)(F)F)ccn3)cc2)c2c(CO)nccn12
• InChI: InChI=1S/C29H26F3N5O.C29H27F2N5O2.C28H25FN6O3.C27H24N6O3/c1-3-13-36-14-4-5-24(36)28-35-26(27-23(18-30)34-12-15-37(27)28)20-8-6-19(7-9-20)25(38)17-22-16-21(10-11-33-22)29(2,31)32;1-3-13-35-14-4-5-24(35)28-34-26(27-23(18-37)33-12-15-36(27)28)20-8-6-19(7-9-20)25(38)17-22-16-21(10-11-32-22)29(2,30)31;1-3-5-24(37)34-12-4-6-22(34)27-33-25(26-21(16-36)30-11-13-35(26)27)19-8-7-18(15-20(19)29)28(38)32-23-14-17(2)9-10-31-23;1-2-6-23(35)32-15-5-7-21(32)26-31-24(25-20(17-34)28-14-16-33(25)26)18-9-11-19(12-10-18)27(36)30-22-8-3-4-13-29-22/h6-12,15-16,24H,4-5,14,17-18H2,1-2H3;6-12,15-16,24,37H,4-5,14,17-18H2,1-2H3;7-11,13-15,22,36H,4,6,12,16H2,1-2H3,(H,31,32,38);3-4,8-14,16,21,34H,5,7,15,17H2,1H3,(H,29,30,36)/t2*24-;22-;21-/m0000/s1
• InChIKey: VAEOGDNTLSAGON-NUPBPWPQSA-N
• XLogP: 17.75
• TPSA: 372.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 24
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2026.19
LogP ≤ 5	17.75
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-8-(hydroxymethyl)imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-(4-methyl-2-pyridinyl)benzamide;4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-8-(hydroxymethyl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-[4-[8-(fluoromethyl)-3-[(2S)-1-prop-1-ynylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-[4-[8-(hydroxymethyl)-3-[(2S)-1-prop-1-ynylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone?

The IUPAC name of 4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-8-(hydroxymethyl)imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-(4-methyl-2-pyridinyl)benzamide;4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-8-(hydroxymethyl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-[4-[8-(fluoromethyl)-3-[(2S)-1-prop-1-ynylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-[4-[8-(hydroxymethyl)-3-[(2S)-1-prop-1-ynylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone (CID 161242424) is 4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-8-(hydroxymethyl)imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-(4-methyl-2-pyridinyl)benzamide;4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-8-(hydroxymethyl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-[4-[8-(fluoromethyl)-3-[(2S)-1-prop-1-ynylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-[4-[8-(hydroxymethyl)-3-[(2S)-1-prop-1-ynylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone.

What is the SMILES notation for 4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-8-(hydroxymethyl)imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-(4-methyl-2-pyridinyl)benzamide;4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-8-(hydroxymethyl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-[4-[8-(fluoromethyl)-3-[(2S)-1-prop-1-ynylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-[4-[8-(hydroxymethyl)-3-[(2S)-1-prop-1-ynylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone?

The canonical SMILES for 4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-8-(hydroxymethyl)imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-(4-methyl-2-pyridinyl)benzamide;4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-8-(hydroxymethyl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-[4-[8-(fluoromethyl)-3-[(2S)-1-prop-1-ynylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-[4-[8-(hydroxymethyl)-3-[(2S)-1-prop-1-ynylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone is CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(C)ccn3)cc2F)c2c(CO)nccn12.CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(CO)nccn12.CC#CN1CCC[C@H]1c1nc(-c2ccc(C(=O)Cc3cc(C(C)(F)F)ccn3)cc2)c2c(CF)nccn12.CC#CN1CCC[C@H]1c1nc(-c2ccc(C(=O)Cc3cc(C(C)(F)F)ccn3)cc2)c2c(CO)nccn12.

What is the InChIKey of 4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-8-(hydroxymethyl)imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-(4-methyl-2-pyridinyl)benzamide;4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-8-(hydroxymethyl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-[4-[8-(fluoromethyl)-3-[(2S)-1-prop-1-ynylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-[4-[8-(hydroxymethyl)-3-[(2S)-1-prop-1-ynylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone?

The InChIKey is VAEOGDNTLSAGON-NUPBPWPQSA-N. The full InChI is InChI=1S/C29H26F3N5O.C29H27F2N5O2.C28H25FN6O3.C27H24N6O3/c1-3-13-36-14-4-5-24(36)28-35-26(27-23(18-30)34-12-15-37(27)28)20-8-6-19(7-9-20)25(38)17-22-16-21(10-11-33-22)29(2,31)32;1-3-13-35-14-4-5-24(35)28-34-26(27-23(18-37)33-12-15-36(27)28)20-8-6-19(7-9-20)25(38)17-22-16-21(10-11-32-22)29(2,30)31;1-3-5-24(37)34-12-4-6-22(34)27-33-25(26-21(16-36)30-11-13-35(26)27)19-8-7-18(15-20(19)29)28(38)32-23-14-17(2)9-10-31-23;1-2-6-23(35)32-15-5-7-21(32)26-31-24(25-20(17-34)28-14-16-33(25)26)18-9-11-19(12-10-18)27(36)30-22-8-3-4-13-29-22/h6-12,15-16,24H,4-5,14,17-18H2,1-2H3;6-12,15-16,24,37H,4-5,14,17-18H2,1-2H3;7-11,13-15,22,36H,4,6,12,16H2,1-2H3,(H,31,32,38);3-4,8-14,16,21,34H,5,7,15,17H2,1H3,(H,29,30,36)/t2*24-;22-;21-/m0000/s1.

What are the key properties of 4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-8-(hydroxymethyl)imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-(4-methyl-2-pyridinyl)benzamide;4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-8-(hydroxymethyl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-[4-[8-(fluoromethyl)-3-[(2S)-1-prop-1-ynylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-[4-[8-(hydroxymethyl)-3-[(2S)-1-prop-1-ynylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone?

4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-8-(hydroxymethyl)imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-(4-methyl-2-pyridinyl)benzamide;4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-8-(hydroxymethyl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-[4-[8-(fluoromethyl)-3-[(2S)-1-prop-1-ynylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-[4-[8-(hydroxymethyl)-3-[(2S)-1-prop-1-ynylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone has a molecular weight of 2026.19 g/mol, XLogP of 17.75, 24 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-8-(hydroxymethyl)imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-(4-methyl-2-pyridinyl)benzamide;4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-8-(hydroxymethyl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-[4-[8-(fluoromethyl)-3-[(2S)-1-prop-1-ynylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-[4-[8-(hydroxymethyl)-3-[(2S)-1-prop-1-ynylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 161242424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).