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;(2S)-N,N-dimethyl-2-[1-[4-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide;(2S)-N,N-dimethyl-2-[1-[4-(pyridin-2-ylcarbamoyl)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide

C113H107F11N24O7 — CID 160872073

About 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;(2S)-N,N-dimethyl-2-[1-[4-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide;(2S)-N,N-dimethyl-2-[1-[4-(pyridin-2-ylcarbamoyl)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide

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;(2S)-N,N-dimethyl-2-[1-[4-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide;(2S)-N,N-dimethyl-2-[1-[4-(pyridin-2-ylcarbamoyl)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide (PubChem CID 160872073) has the molecular formula C113H107F11N24O7 and a molecular weight of 2122.24 g/mol. Its IUPAC name is 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;(2S)-N,N-dimethyl-2-[1-[4-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide;(2S)-N,N-dimethyl-2-[1-[4-(pyridin-2-ylcarbamoyl)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 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;(2S)-N,N-dimethyl-2-[1-[4-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide;(2S)-N,N-dimethyl-2-[1-[4-(pyridin-2-ylcarbamoyl)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide
• PubChem CID: 160872073
• Molecular Formula: C113H107F11N24O7
• Molecular Weight: 2122.24 g/mol
• Exact Mass: 2120.86
• IUPAC Name: 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;(2S)-N,N-dimethyl-2-[1-[4-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide;(2S)-N,N-dimethyl-2-[1-[4-(pyridin-2-ylcarbamoyl)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide
• SMILES: 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.CN(C)C(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(C(F)(F)F)nccn12.Cc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCCN4C(=O)N(C)C)n4ccnc(C(F)(F)F)c34)cc2)c1
• InChI: InChI=1S/C29H26F3N5O.C29H27F2N5O2.C28H28F3N7O2.C27H26F3N7O2/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;1-17-11-12-32-21(16-17)34-26(39)19-9-7-18(8-10-19)22-23-24(28(29,30)31)33-13-15-38(23)25(35-22)20-6-4-5-14-37(20)27(40)36(2)3;1-35(2)26(39)36-15-6-4-7-19(36)24-34-21(22-23(27(28,29)30)32-14-16-37(22)24)17-9-11-18(12-10-17)25(38)33-20-8-3-5-13-31-20/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;7-13,15-16,20H,4-6,14H2,1-3H3,(H,32,34,39);3,5,8-14,16,19H,4,6-7,15H2,1-2H3,(H,31,33,38)/t2*24-;20-;19-/m0000/s1
• InChIKey: SLWQZGIPLMILAW-GBQMIICYSA-N
• XLogP: 21.70
• TPSA: 338.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2122.24
LogP ≤ 5	21.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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;(2S)-N,N-dimethyl-2-[1-[4-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide;(2S)-N,N-dimethyl-2-[1-[4-(pyridin-2-ylcarbamoyl)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide?

The IUPAC name of 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;(2S)-N,N-dimethyl-2-[1-[4-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide;(2S)-N,N-dimethyl-2-[1-[4-(pyridin-2-ylcarbamoyl)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide (CID 160872073) is 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;(2S)-N,N-dimethyl-2-[1-[4-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide;(2S)-N,N-dimethyl-2-[1-[4-(pyridin-2-ylcarbamoyl)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide.

What is the SMILES notation for 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;(2S)-N,N-dimethyl-2-[1-[4-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide;(2S)-N,N-dimethyl-2-[1-[4-(pyridin-2-ylcarbamoyl)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide?

The canonical SMILES for 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;(2S)-N,N-dimethyl-2-[1-[4-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide;(2S)-N,N-dimethyl-2-[1-[4-(pyridin-2-ylcarbamoyl)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide is 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.CN(C)C(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(C(F)(F)F)nccn12.Cc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCCN4C(=O)N(C)C)n4ccnc(C(F)(F)F)c34)cc2)c1.

What is the InChIKey of 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;(2S)-N,N-dimethyl-2-[1-[4-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide;(2S)-N,N-dimethyl-2-[1-[4-(pyridin-2-ylcarbamoyl)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide?

The InChIKey is SLWQZGIPLMILAW-GBQMIICYSA-N. The full InChI is InChI=1S/C29H26F3N5O.C29H27F2N5O2.C28H28F3N7O2.C27H26F3N7O2/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;1-17-11-12-32-21(16-17)34-26(39)19-9-7-18(8-10-19)22-23-24(28(29,30)31)33-13-15-38(23)25(35-22)20-6-4-5-14-37(20)27(40)36(2)3;1-35(2)26(39)36-15-6-4-7-19(36)24-34-21(22-23(27(28,29)30)32-14-16-37(22)24)17-9-11-18(12-10-17)25(38)33-20-8-3-5-13-31-20/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;7-13,15-16,20H,4-6,14H2,1-3H3,(H,32,34,39);3,5,8-14,16,19H,4,6-7,15H2,1-2H3,(H,31,33,38)/t2*24-;20-;19-/m0000/s1.

What are the key properties of 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;(2S)-N,N-dimethyl-2-[1-[4-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide;(2S)-N,N-dimethyl-2-[1-[4-(pyridin-2-ylcarbamoyl)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide?

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;(2S)-N,N-dimethyl-2-[1-[4-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide;(2S)-N,N-dimethyl-2-[1-[4-(pyridin-2-ylcarbamoyl)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide has a molecular weight of 2122.24 g/mol, XLogP of 21.70, 22 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 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;(2S)-N,N-dimethyl-2-[1-[4-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide;(2S)-N,N-dimethyl-2-[1-[4-(pyridin-2-ylcarbamoyl)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 160872073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).