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;(4-phenoxyphenyl)boronic acid;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;pyrazin-2-ylmethanamine

C120H129BBrN21O19 — CID 165038923

IUPACazane;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;(4-phenoxyphenyl)boronic acid;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;pyrazin-2-ylmethanamine
SMILESN.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
InChIInChI=1S/C31H28N4O3.C19H19BrN4O2.C19H22N4O3.C19H20N4O2.C14H17NO4.C12H11BO3.C5H7N3.CH2O2.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;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;2-1-3;/h1-6,8-9,11-17,19-20,25H,7,10,18,21-22H2;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;1H,(H,2,3);1H3/t25-;15-;2*16-;12-;;;;/m11111..../s1
InChIKeyRVOZVGMJEWEDKV-FXVOEQEASA-N
MW2260.20 g/mol
LogP19.18
Rot. Bonds24

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;(4-phenoxyphenyl)boronic acid;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;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;(4-phenoxyphenyl)boronic acid;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;pyrazin-2-ylmethanamine (PubChem CID 165038923) has the molecular formula C120H129BBrN21O19 and a molecular weight of 2260.20 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;(4-phenoxyphenyl)boronic acid;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;pyrazin-2-ylmethanamine.

Molecular Properties

Compound Nameazane;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;(4-phenoxyphenyl)boronic acid;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;pyrazin-2-ylmethanamine
PubChem CID165038923
Molecular FormulaC120H129BBrN21O19
Molecular Weight2260.20 g/mol
Exact Mass2257.91
IUPAC Nameazane;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;(4-phenoxyphenyl)boronic acid;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;pyrazin-2-ylmethanamine
SMILESN.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
InChIInChI=1S/C31H28N4O3.C19H19BrN4O2.C19H22N4O3.C19H20N4O2.C14H17NO4.C12H11BO3.C5H7N3.CH2O2.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;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;2-1-3;/h1-6,8-9,11-17,19-20,25H,7,10,18,21-22H2;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;1H,(H,2,3);1H3/t25-;15-;2*16-;12-;;;;/m11111..../s1
InChIKeyRVOZVGMJEWEDKV-FXVOEQEASA-N
XLogP19.18
TPSA513.47 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds24
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002260.20
LogP ≤ 519.18
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 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;(4-phenoxyphenyl)boronic acid;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;pyrazin-2-ylmethanamine with MolForge

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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;(4-phenoxyphenyl)boronic acid;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;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;(4-phenoxyphenyl)boronic acid;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;pyrazin-2-ylmethanamine (CID 165038923) 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;(4-phenoxyphenyl)boronic acid;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;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;(4-phenoxyphenyl)boronic acid;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;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;(4-phenoxyphenyl)boronic acid;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;pyrazin-2-ylmethanamine is 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.
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;(4-phenoxyphenyl)boronic acid;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;pyrazin-2-ylmethanamine?
The InChIKey is RVOZVGMJEWEDKV-FXVOEQEASA-N. The full InChI is InChI=1S/C31H28N4O3.C19H19BrN4O2.C19H22N4O3.C19H20N4O2.C14H17NO4.C12H11BO3.C5H7N3.CH2O2.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;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;2-1-3;/h1-6,8-9,11-17,19-20,25H,7,10,18,21-22H2;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;1H,(H,2,3);1H3/t25-;15-;2*16-;12-;;;;/m11111..../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;(4-phenoxyphenyl)boronic acid;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;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;(4-phenoxyphenyl)boronic acid;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;pyrazin-2-ylmethanamine has a molecular weight of 2260.20 g/mol, XLogP of 19.18, 24 rotatable bonds, 7 hydrogen bond donors, and 32 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;(4-phenoxyphenyl)boronic acid;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;pyrazin-2-ylmethanamine is sourced from PubChem (CID 165038923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).