benzyl (2R)-2-(1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclopentane-1-carboxylate;benzyl (2S)-2-[1-[4-[(2-fluorophenoxy)methyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-fluorophenol;1-[4-[(2-fluorophenoxy)methyl]phenyl]-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazine;2-[4-[(2-fluorophenoxy)methyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;prop-2-enoyl chloride

C114H114B2Br2ClF4N11O13 — CID 159858334

About benzyl (2R)-2-(1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclopentane-1-carboxylate;benzyl (2S)-2-[1-[4-[(2-fluorophenoxy)methyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-fluorophenol;1-[4-[(2-fluorophenoxy)methyl]phenyl]-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazine;2-[4-[(2-fluorophenoxy)methyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;prop-2-enoyl chloride

benzyl (2R)-2-(1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclopentane-1-carboxylate;benzyl (2S)-2-[1-[4-[(2-fluorophenoxy)methyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-fluorophenol;1-[4-[(2-fluorophenoxy)methyl]phenyl]-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazine;2-[4-[(2-fluorophenoxy)methyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;prop-2-enoyl chloride (PubChem CID 159858334) has the molecular formula C114H114B2Br2ClF4N11O13 and a molecular weight of 2139.11 g/mol. Its IUPAC name is benzyl (2R)-2-(1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclopentane-1-carboxylate;benzyl (2S)-2-[1-[4-[(2-fluorophenoxy)methyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-fluorophenol;1-[4-[(2-fluorophenoxy)methyl]phenyl]-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazine;2-[4-[(2-fluorophenoxy)methyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: benzyl (2R)-2-(1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclopentane-1-carboxylate;benzyl (2S)-2-[1-[4-[(2-fluorophenoxy)methyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-fluorophenol;1-[4-[(2-fluorophenoxy)methyl]phenyl]-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazine;2-[4-[(2-fluorophenoxy)methyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;prop-2-enoyl chloride
• PubChem CID: 159858334
• Molecular Formula: C114H114B2Br2ClF4N11O13
• Molecular Weight: 2139.11 g/mol
• Exact Mass: 2135.68
• IUPAC Name: benzyl (2R)-2-(1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclopentane-1-carboxylate;benzyl (2S)-2-[1-[4-[(2-fluorophenoxy)methyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-fluorophenol;1-[4-[(2-fluorophenoxy)methyl]phenyl]-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazine;2-[4-[(2-fluorophenoxy)methyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;prop-2-enoyl chloride
• SMILES: C=CC(=O)Cl.CC1(C)OB(c2ccc(CBr)cc2)OC1(C)C.CC1(C)OB(c2ccc(COc3ccccc3F)cc2)OC1(C)C.Fc1ccccc1OCc1ccc(-c2nc([C@@H]3CCCN3)n3ccncc23)cc1.O=C(OCc1ccccc1)C1CCC[C@H]1c1nc(Br)c2cnccn12.O=C(OCc1ccccc1)N1CCC[C@H]1c1nc(-c2ccc(COc3ccccc3F)cc2)c2cnccn12.Oc1ccccc1F
• InChI: InChI=1S/C31H27FN4O3.C23H21FN4O.C19H22BFO3.C19H18BrN3O2.C13H18BBrO2.C6H5FO.C3H3ClO/c32-25-9-4-5-11-28(25)38-20-23-12-14-24(15-13-23)29-27-19-33-16-18-35(27)30(34-29)26-10-6-17-36(26)31(37)39-21-22-7-2-1-3-8-22;24-18-4-1-2-6-21(18)29-15-16-7-9-17(10-8-16)22-20-14-25-12-13-28(20)23(27-22)19-5-3-11-26-19;1-18(2)19(3,4)24-20(23-18)15-11-9-14(10-12-15)13-22-17-8-6-5-7-16(17)21;20-17-16-11-21-9-10-23(16)18(22-17)14-7-4-8-15(14)19(24)25-12-13-5-2-1-3-6-13;1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11;7-5-3-1-2-4-6(5)8;1-2-3(4)5/h1-5,7-9,11-16,18-19,26H,6,10,17,20-21H2;1-2,4,6-10,12-14,19,26H,3,5,11,15H2;5-12H,13H2,1-4H3;1-3,5-6,9-11,14-15H,4,7-8,12H2;5-8H,9H2,1-4H3;1-4,8H;2H,1H2/t26-;19-;;14-,15?;;;/m00.1.../s1
• InChIKey: NQUWIMGSWRXHJL-IPEDGTHSSA-N
• XLogP: 24.30
• TPSA: 260.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 23
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2139.11
LogP ≤ 5	24.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-(1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclopentane-1-carboxylate;benzyl (2S)-2-[1-[4-[(2-fluorophenoxy)methyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-fluorophenol;1-[4-[(2-fluorophenoxy)methyl]phenyl]-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazine;2-[4-[(2-fluorophenoxy)methyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;prop-2-enoyl chloride?

The IUPAC name of benzyl (2R)-2-(1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclopentane-1-carboxylate;benzyl (2S)-2-[1-[4-[(2-fluorophenoxy)methyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-fluorophenol;1-[4-[(2-fluorophenoxy)methyl]phenyl]-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazine;2-[4-[(2-fluorophenoxy)methyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;prop-2-enoyl chloride (CID 159858334) is benzyl (2R)-2-(1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclopentane-1-carboxylate;benzyl (2S)-2-[1-[4-[(2-fluorophenoxy)methyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-fluorophenol;1-[4-[(2-fluorophenoxy)methyl]phenyl]-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazine;2-[4-[(2-fluorophenoxy)methyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;prop-2-enoyl chloride.

What is the SMILES notation for benzyl (2R)-2-(1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclopentane-1-carboxylate;benzyl (2S)-2-[1-[4-[(2-fluorophenoxy)methyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-fluorophenol;1-[4-[(2-fluorophenoxy)methyl]phenyl]-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazine;2-[4-[(2-fluorophenoxy)methyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;prop-2-enoyl chloride?

The canonical SMILES for benzyl (2R)-2-(1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclopentane-1-carboxylate;benzyl (2S)-2-[1-[4-[(2-fluorophenoxy)methyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-fluorophenol;1-[4-[(2-fluorophenoxy)methyl]phenyl]-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazine;2-[4-[(2-fluorophenoxy)methyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;prop-2-enoyl chloride is C=CC(=O)Cl.CC1(C)OB(c2ccc(CBr)cc2)OC1(C)C.CC1(C)OB(c2ccc(COc3ccccc3F)cc2)OC1(C)C.Fc1ccccc1OCc1ccc(-c2nc([C@@H]3CCCN3)n3ccncc23)cc1.O=C(OCc1ccccc1)C1CCC[C@H]1c1nc(Br)c2cnccn12.O=C(OCc1ccccc1)N1CCC[C@H]1c1nc(-c2ccc(COc3ccccc3F)cc2)c2cnccn12.Oc1ccccc1F.

What is the InChIKey of benzyl (2R)-2-(1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclopentane-1-carboxylate;benzyl (2S)-2-[1-[4-[(2-fluorophenoxy)methyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-fluorophenol;1-[4-[(2-fluorophenoxy)methyl]phenyl]-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazine;2-[4-[(2-fluorophenoxy)methyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;prop-2-enoyl chloride?

The InChIKey is NQUWIMGSWRXHJL-IPEDGTHSSA-N. The full InChI is InChI=1S/C31H27FN4O3.C23H21FN4O.C19H22BFO3.C19H18BrN3O2.C13H18BBrO2.C6H5FO.C3H3ClO/c32-25-9-4-5-11-28(25)38-20-23-12-14-24(15-13-23)29-27-19-33-16-18-35(27)30(34-29)26-10-6-17-36(26)31(37)39-21-22-7-2-1-3-8-22;24-18-4-1-2-6-21(18)29-15-16-7-9-17(10-8-16)22-20-14-25-12-13-28(20)23(27-22)19-5-3-11-26-19;1-18(2)19(3,4)24-20(23-18)15-11-9-14(10-12-15)13-22-17-8-6-5-7-16(17)21;20-17-16-11-21-9-10-23(16)18(22-17)14-7-4-8-15(14)19(24)25-12-13-5-2-1-3-6-13;1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11;7-5-3-1-2-4-6(5)8;1-2-3(4)5/h1-5,7-9,11-16,18-19,26H,6,10,17,20-21H2;1-2,4,6-10,12-14,19,26H,3,5,11,15H2;5-12H,13H2,1-4H3;1-3,5-6,9-11,14-15H,4,7-8,12H2;5-8H,9H2,1-4H3;1-4,8H;2H,1H2/t26-;19-;;14-,15?;;;/m00.1.../s1.

What are the key properties of benzyl (2R)-2-(1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclopentane-1-carboxylate;benzyl (2S)-2-[1-[4-[(2-fluorophenoxy)methyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-fluorophenol;1-[4-[(2-fluorophenoxy)methyl]phenyl]-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazine;2-[4-[(2-fluorophenoxy)methyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;prop-2-enoyl chloride?

benzyl (2R)-2-(1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclopentane-1-carboxylate;benzyl (2S)-2-[1-[4-[(2-fluorophenoxy)methyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-fluorophenol;1-[4-[(2-fluorophenoxy)methyl]phenyl]-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazine;2-[4-[(2-fluorophenoxy)methyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;prop-2-enoyl chloride has a molecular weight of 2139.11 g/mol, XLogP of 24.30, 23 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl (2R)-2-(1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclopentane-1-carboxylate;benzyl (2S)-2-[1-[4-[(2-fluorophenoxy)methyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-fluorophenol;1-[4-[(2-fluorophenoxy)methyl]phenyl]-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazine;2-[4-[(2-fluorophenoxy)methyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;prop-2-enoyl chloride is sourced from PubChem (CID 159858334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).