azane;benzyl (3R)-3-(1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-imidazo[1,5-a]pyrazin-3-ylpiperidine-1-carboxylate;benzyl (3R)-3-[1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;benzyl (3R)-3-(pyrazin-2-ylmethylcarbamoyl)piperidine-1-carboxylate;formic acid;methane;(4-phenoxyphenyl)boronic acid;1-(4-phenoxyphenyl)-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazine;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;prop-2-enoyl chloride;pyrazin-2-ylmethanamine

C147H158BBrClN25O21 — CID 161129588

About azane;benzyl (3R)-3-(1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-imidazo[1,5-a]pyrazin-3-ylpiperidine-1-carboxylate;benzyl (3R)-3-[1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;benzyl (3R)-3-(pyrazin-2-ylmethylcarbamoyl)piperidine-1-carboxylate;formic acid;methane;(4-phenoxyphenyl)boronic acid;1-(4-phenoxyphenyl)-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazine;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;prop-2-enoyl chloride;pyrazin-2-ylmethanamine

azane;benzyl (3R)-3-(1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-imidazo[1,5-a]pyrazin-3-ylpiperidine-1-carboxylate;benzyl (3R)-3-[1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;benzyl (3R)-3-(pyrazin-2-ylmethylcarbamoyl)piperidine-1-carboxylate;formic acid;methane;(4-phenoxyphenyl)boronic acid;1-(4-phenoxyphenyl)-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazine;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;prop-2-enoyl chloride;pyrazin-2-ylmethanamine (PubChem CID 161129588) has the molecular formula C147H158BBrClN25O21 and a molecular weight of 2737.20 g/mol. Its IUPAC name is azane;benzyl (3R)-3-(1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-imidazo[1,5-a]pyrazin-3-ylpiperidine-1-carboxylate;benzyl (3R)-3-[1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;benzyl (3R)-3-(pyrazin-2-ylmethylcarbamoyl)piperidine-1-carboxylate;formic acid;methane;(4-phenoxyphenyl)boronic acid;1-(4-phenoxyphenyl)-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazine;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;prop-2-enoyl chloride;pyrazin-2-ylmethanamine.

Molecular Properties

• Compound Name: azane;benzyl (3R)-3-(1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-imidazo[1,5-a]pyrazin-3-ylpiperidine-1-carboxylate;benzyl (3R)-3-[1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;benzyl (3R)-3-(pyrazin-2-ylmethylcarbamoyl)piperidine-1-carboxylate;formic acid;methane;(4-phenoxyphenyl)boronic acid;1-(4-phenoxyphenyl)-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazine;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;prop-2-enoyl chloride;pyrazin-2-ylmethanamine
• PubChem CID: 161129588
• Molecular Formula: C147H158BBrClN25O21
• Molecular Weight: 2737.20 g/mol
• Exact Mass: 2734.10
• IUPAC Name: azane;benzyl (3R)-3-(1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-imidazo[1,5-a]pyrazin-3-ylpiperidine-1-carboxylate;benzyl (3R)-3-[1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;benzyl (3R)-3-(pyrazin-2-ylmethylcarbamoyl)piperidine-1-carboxylate;formic acid;methane;(4-phenoxyphenyl)boronic acid;1-(4-phenoxyphenyl)-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazine;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;prop-2-enoyl chloride;pyrazin-2-ylmethanamine
• SMILES: C.C=CC(=O)Cl.N.NCc1cnccn1.O=C(NCc1cnccn1)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1.O=C(O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1.O=C(OCc1ccccc1)N1CCC[C@@H](c2nc(-c3ccc(Oc4ccccc4)cc3)c3cnccn23)C1.O=C(OCc1ccccc1)N1CCC[C@@H](c2nc(Br)c3cnccn23)C1.O=C(OCc1ccccc1)N1CCC[C@@H](c2ncc3cnccn23)C1.O=CO.OB(O)c1ccc(Oc2ccccc2)cc1.c1ccc(Oc2ccc(-c3nc([C@@H]4CCCNC4)n4ccncc34)cc2)cc1
• InChI: InChI=1S/C31H28N4O3.C23H22N4O.C19H19BrN4O2.C19H22N4O3.C19H20N4O2.C14H17NO4.C12H11BO3.C5H7N3.C3H3ClO.CH2O2.CH4.H3N/c36-31(37-22-23-8-3-1-4-9-23)34-18-7-10-25(21-34)30-33-29(28-20-32-17-19-35(28)30)24-13-15-27(16-14-24)38-26-11-5-2-6-12-26;1-2-6-19(7-3-1)28-20-10-8-17(9-11-20)22-21-16-25-13-14-27(21)23(26-22)18-5-4-12-24-15-18;20-17-16-11-21-8-10-24(16)18(22-17)15-7-4-9-23(12-15)19(25)26-13-14-5-2-1-3-6-14;24-18(22-12-17-11-20-8-9-21-17)16-7-4-10-23(13-16)19(25)26-14-15-5-2-1-3-6-15;24-19(25-14-15-5-2-1-3-6-15)22-9-4-7-16(13-22)18-21-12-17-11-20-8-10-23(17)18;16-13(17)12-7-4-8-15(9-12)14(18)19-10-11-5-2-1-3-6-11;14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11;6-3-5-4-7-1-2-8-5;1-2-3(4)5;2-1-3;;/h1-6,8-9,11-17,19-20,25H,7,10,18,21-22H2;1-3,6-11,13-14,16,18,24H,4-5,12,15H2;1-3,5-6,8,10-11,15H,4,7,9,12-13H2;1-3,5-6,8-9,11,16H,4,7,10,12-14H2,(H,22,24);1-3,5-6,8,10-12,16H,4,7,9,13-14H2;1-3,5-6,12H,4,7-10H2,(H,16,17);1-9,14-15H;1-2,4H,3,6H2;2H,1H2;1H,(H,2,3);1H4;1H3/t25-;18-;15-;2*16-;12-;;;;;;/m111111....../s1
• InChIKey: VCMBVQIKHJAXGW-UAZBDITQSA-N
• XLogP: 25.41
• TPSA: 581.99 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 29
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2737.20
LogP ≤ 5	25.41
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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 azane;benzyl (3R)-3-(1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-imidazo[1,5-a]pyrazin-3-ylpiperidine-1-carboxylate;benzyl (3R)-3-[1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;benzyl (3R)-3-(pyrazin-2-ylmethylcarbamoyl)piperidine-1-carboxylate;formic acid;methane;(4-phenoxyphenyl)boronic acid;1-(4-phenoxyphenyl)-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazine;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;prop-2-enoyl chloride;pyrazin-2-ylmethanamine?

The IUPAC name of azane;benzyl (3R)-3-(1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-imidazo[1,5-a]pyrazin-3-ylpiperidine-1-carboxylate;benzyl (3R)-3-[1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;benzyl (3R)-3-(pyrazin-2-ylmethylcarbamoyl)piperidine-1-carboxylate;formic acid;methane;(4-phenoxyphenyl)boronic acid;1-(4-phenoxyphenyl)-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazine;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;prop-2-enoyl chloride;pyrazin-2-ylmethanamine (CID 161129588) is azane;benzyl (3R)-3-(1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-imidazo[1,5-a]pyrazin-3-ylpiperidine-1-carboxylate;benzyl (3R)-3-[1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;benzyl (3R)-3-(pyrazin-2-ylmethylcarbamoyl)piperidine-1-carboxylate;formic acid;methane;(4-phenoxyphenyl)boronic acid;1-(4-phenoxyphenyl)-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazine;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;prop-2-enoyl chloride;pyrazin-2-ylmethanamine.

What is the SMILES notation for azane;benzyl (3R)-3-(1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-imidazo[1,5-a]pyrazin-3-ylpiperidine-1-carboxylate;benzyl (3R)-3-[1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;benzyl (3R)-3-(pyrazin-2-ylmethylcarbamoyl)piperidine-1-carboxylate;formic acid;methane;(4-phenoxyphenyl)boronic acid;1-(4-phenoxyphenyl)-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazine;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;prop-2-enoyl chloride;pyrazin-2-ylmethanamine?

The canonical SMILES for azane;benzyl (3R)-3-(1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-imidazo[1,5-a]pyrazin-3-ylpiperidine-1-carboxylate;benzyl (3R)-3-[1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;benzyl (3R)-3-(pyrazin-2-ylmethylcarbamoyl)piperidine-1-carboxylate;formic acid;methane;(4-phenoxyphenyl)boronic acid;1-(4-phenoxyphenyl)-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazine;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;prop-2-enoyl chloride;pyrazin-2-ylmethanamine is C.C=CC(=O)Cl.N.NCc1cnccn1.O=C(NCc1cnccn1)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1.O=C(O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1.O=C(OCc1ccccc1)N1CCC[C@@H](c2nc(-c3ccc(Oc4ccccc4)cc3)c3cnccn23)C1.O=C(OCc1ccccc1)N1CCC[C@@H](c2nc(Br)c3cnccn23)C1.O=C(OCc1ccccc1)N1CCC[C@@H](c2ncc3cnccn23)C1.O=CO.OB(O)c1ccc(Oc2ccccc2)cc1.c1ccc(Oc2ccc(-c3nc([C@@H]4CCCNC4)n4ccncc34)cc2)cc1.

What is the InChIKey of azane;benzyl (3R)-3-(1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-imidazo[1,5-a]pyrazin-3-ylpiperidine-1-carboxylate;benzyl (3R)-3-[1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;benzyl (3R)-3-(pyrazin-2-ylmethylcarbamoyl)piperidine-1-carboxylate;formic acid;methane;(4-phenoxyphenyl)boronic acid;1-(4-phenoxyphenyl)-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazine;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;prop-2-enoyl chloride;pyrazin-2-ylmethanamine?

The InChIKey is VCMBVQIKHJAXGW-UAZBDITQSA-N. The full InChI is InChI=1S/C31H28N4O3.C23H22N4O.C19H19BrN4O2.C19H22N4O3.C19H20N4O2.C14H17NO4.C12H11BO3.C5H7N3.C3H3ClO.CH2O2.CH4.H3N/c36-31(37-22-23-8-3-1-4-9-23)34-18-7-10-25(21-34)30-33-29(28-20-32-17-19-35(28)30)24-13-15-27(16-14-24)38-26-11-5-2-6-12-26;1-2-6-19(7-3-1)28-20-10-8-17(9-11-20)22-21-16-25-13-14-27(21)23(26-22)18-5-4-12-24-15-18;20-17-16-11-21-8-10-24(16)18(22-17)15-7-4-9-23(12-15)19(25)26-13-14-5-2-1-3-6-14;24-18(22-12-17-11-20-8-9-21-17)16-7-4-10-23(13-16)19(25)26-14-15-5-2-1-3-6-15;24-19(25-14-15-5-2-1-3-6-15)22-9-4-7-16(13-22)18-21-12-17-11-20-8-10-23(17)18;16-13(17)12-7-4-8-15(9-12)14(18)19-10-11-5-2-1-3-6-11;14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11;6-3-5-4-7-1-2-8-5;1-2-3(4)5;2-1-3;;/h1-6,8-9,11-17,19-20,25H,7,10,18,21-22H2;1-3,6-11,13-14,16,18,24H,4-5,12,15H2;1-3,5-6,8,10-11,15H,4,7,9,12-13H2;1-3,5-6,8-9,11,16H,4,7,10,12-14H2,(H,22,24);1-3,5-6,8,10-12,16H,4,7,9,13-14H2;1-3,5-6,12H,4,7-10H2,(H,16,17);1-9,14-15H;1-2,4H,3,6H2;2H,1H2;1H,(H,2,3);1H4;1H3/t25-;18-;15-;2*16-;12-;;;;;;/m111111....../s1.

What are the key properties of azane;benzyl (3R)-3-(1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-imidazo[1,5-a]pyrazin-3-ylpiperidine-1-carboxylate;benzyl (3R)-3-[1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;benzyl (3R)-3-(pyrazin-2-ylmethylcarbamoyl)piperidine-1-carboxylate;formic acid;methane;(4-phenoxyphenyl)boronic acid;1-(4-phenoxyphenyl)-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazine;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;prop-2-enoyl chloride;pyrazin-2-ylmethanamine?

azane;benzyl (3R)-3-(1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-imidazo[1,5-a]pyrazin-3-ylpiperidine-1-carboxylate;benzyl (3R)-3-[1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;benzyl (3R)-3-(pyrazin-2-ylmethylcarbamoyl)piperidine-1-carboxylate;formic acid;methane;(4-phenoxyphenyl)boronic acid;1-(4-phenoxyphenyl)-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazine;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;prop-2-enoyl chloride;pyrazin-2-ylmethanamine has a molecular weight of 2737.20 g/mol, XLogP of 25.41, 29 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for azane;benzyl (3R)-3-(1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-imidazo[1,5-a]pyrazin-3-ylpiperidine-1-carboxylate;benzyl (3R)-3-[1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;benzyl (3R)-3-(pyrazin-2-ylmethylcarbamoyl)piperidine-1-carboxylate;formic acid;methane;(4-phenoxyphenyl)boronic acid;1-(4-phenoxyphenyl)-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazine;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;prop-2-enoyl chloride;pyrazin-2-ylmethanamine is sourced from PubChem (CID 161129588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).