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-(pyrazin-2-ylmethylcarbamoyl)piperidine-1-carboxylate;[4-(2-fluoro-3-methoxyphenoxy)phenyl]boronic acid;methane;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;pyrazine-2-carbonitrile;pyrazin-2-ylmethanamine

C96H108BBrFN19O15 — CID 159747372

IUPACbenzyl (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-(pyrazin-2-ylmethylcarbamoyl)piperidine-1-carboxylate;[4-(2-fluoro-3-methoxyphenoxy)phenyl]boronic acid;methane;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;pyrazine-2-carbonitrile;pyrazin-2-ylmethanamine
SMILESC.C.COc1cccc(Oc2ccc(B(O)O)cc2)c1F.N#Cc1cnccn1.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(Br)c3cnccn23)C1.O=C(OCc1ccccc1)N1CCC[C@@H](c2ncc3cnccn23)C1
InChIInChI=1S/C19H19BrN4O2.C19H22N4O3.C19H20N4O2.C14H17NO4.C13H12BFO4.C5H7N3.C5H3N3.2CH4/c20-17-16-11-21-8-10-24(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;1-18-11-3-2-4-12(13(11)15)19-10-7-5-9(6-8-10)14(16)17;2*6-3-5-4-7-1-2-8-5;;/h1-3,5-6,8,10-11,15H,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);2-8,16-17H,1H3;1-2,4H,3,6H2;1-2,4H;2*1H4/t15-;2*16-;12-;;;;;/m1111...../s1
InChIKeyNDFBROIDRITQRE-VSFIJVGPSA-N
MW1877.75 g/mol
LogP14.38
Rot. Bonds19

About 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-(pyrazin-2-ylmethylcarbamoyl)piperidine-1-carboxylate;[4-(2-fluoro-3-methoxyphenoxy)phenyl]boronic acid;methane;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;pyrazine-2-carbonitrile;pyrazin-2-ylmethanamine

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-(pyrazin-2-ylmethylcarbamoyl)piperidine-1-carboxylate;[4-(2-fluoro-3-methoxyphenoxy)phenyl]boronic acid;methane;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;pyrazine-2-carbonitrile;pyrazin-2-ylmethanamine (PubChem CID 159747372) has the molecular formula C96H108BBrFN19O15 and a molecular weight of 1877.75 g/mol. Its IUPAC name is 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-(pyrazin-2-ylmethylcarbamoyl)piperidine-1-carboxylate;[4-(2-fluoro-3-methoxyphenoxy)phenyl]boronic acid;methane;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;pyrazine-2-carbonitrile;pyrazin-2-ylmethanamine.

Molecular Properties

Compound Namebenzyl (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-(pyrazin-2-ylmethylcarbamoyl)piperidine-1-carboxylate;[4-(2-fluoro-3-methoxyphenoxy)phenyl]boronic acid;methane;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;pyrazine-2-carbonitrile;pyrazin-2-ylmethanamine
PubChem CID159747372
Molecular FormulaC96H108BBrFN19O15
Molecular Weight1877.75 g/mol
Exact Mass1875.75
IUPAC Namebenzyl (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-(pyrazin-2-ylmethylcarbamoyl)piperidine-1-carboxylate;[4-(2-fluoro-3-methoxyphenoxy)phenyl]boronic acid;methane;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;pyrazine-2-carbonitrile;pyrazin-2-ylmethanamine
SMILESC.C.COc1cccc(Oc2ccc(B(O)O)cc2)c1F.N#Cc1cnccn1.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(Br)c3cnccn23)C1.O=C(OCc1ccccc1)N1CCC[C@@H](c2ncc3cnccn23)C1
InChIInChI=1S/C19H19BrN4O2.C19H22N4O3.C19H20N4O2.C14H17NO4.C13H12BFO4.C5H7N3.C5H3N3.2CH4/c20-17-16-11-21-8-10-24(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;1-18-11-3-2-4-12(13(11)15)19-10-7-5-9(6-8-10)14(16)17;2*6-3-5-4-7-1-2-8-5;;/h1-3,5-6,8,10-11,15H,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);2-8,16-17H,1H3;1-2,4H,3,6H2;1-2,4H;2*1H4/t15-;2*16-;12-;;;;;/m1111...../s1
InChIKeyNDFBROIDRITQRE-VSFIJVGPSA-N
XLogP14.38
TPSA431.01 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds19
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001877.75
LogP ≤ 514.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 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-(pyrazin-2-ylmethylcarbamoyl)piperidine-1-carboxylate;[4-(2-fluoro-3-methoxyphenoxy)phenyl]boronic acid;methane;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;pyrazine-2-carbonitrile;pyrazin-2-ylmethanamine with MolForge

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Related Compounds

2-cyanoacetic acid;2,2-dimethylpropanal;(E)-2-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carbonyl]-4,4-dimethylpent-2-enenitrile;3-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-3-oxopropanenitrile;1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazine
CID 157101408
CID 157635381
CID 157635381
benzyl (3R)-3-(1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;benzyl (3R)-3-imidazo[1,5-a]pyrazin-3-ylpiperidine-1-carboxylate;benzyl (3R)-3-(pyrazin-2-ylmethylcarbamoyl)piperidine-1-carboxylate;[4-(2-fluoro-3-methoxyphenoxy)phenyl]boronic acid;1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazine;methane;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;prop-2-enoyl chloride;pyrazine-2-carbonitrile;pyrazin-2-ylmethanamine
CID 158243500
1-[(3R)-3-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazin-8-amine
CID 158495309
tert-butyl (3R)-3-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazin-8-amine
CID 159415807
1-[4-[8-Amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine
CID 159493966
CID 160258452
CID 160258452
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
Tert-butyl 4-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine
CID 161439879
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

Frequently Asked Questions

What is the IUPAC name of 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-(pyrazin-2-ylmethylcarbamoyl)piperidine-1-carboxylate;[4-(2-fluoro-3-methoxyphenoxy)phenyl]boronic acid;methane;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;pyrazine-2-carbonitrile;pyrazin-2-ylmethanamine?
The IUPAC name of 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-(pyrazin-2-ylmethylcarbamoyl)piperidine-1-carboxylate;[4-(2-fluoro-3-methoxyphenoxy)phenyl]boronic acid;methane;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;pyrazine-2-carbonitrile;pyrazin-2-ylmethanamine (CID 159747372) is 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-(pyrazin-2-ylmethylcarbamoyl)piperidine-1-carboxylate;[4-(2-fluoro-3-methoxyphenoxy)phenyl]boronic acid;methane;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;pyrazine-2-carbonitrile;pyrazin-2-ylmethanamine.
What is the SMILES notation for 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-(pyrazin-2-ylmethylcarbamoyl)piperidine-1-carboxylate;[4-(2-fluoro-3-methoxyphenoxy)phenyl]boronic acid;methane;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;pyrazine-2-carbonitrile;pyrazin-2-ylmethanamine?
The canonical SMILES for 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-(pyrazin-2-ylmethylcarbamoyl)piperidine-1-carboxylate;[4-(2-fluoro-3-methoxyphenoxy)phenyl]boronic acid;methane;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;pyrazine-2-carbonitrile;pyrazin-2-ylmethanamine is C.C.COc1cccc(Oc2ccc(B(O)O)cc2)c1F.N#Cc1cnccn1.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(Br)c3cnccn23)C1.O=C(OCc1ccccc1)N1CCC[C@@H](c2ncc3cnccn23)C1.
What is the InChIKey of 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-(pyrazin-2-ylmethylcarbamoyl)piperidine-1-carboxylate;[4-(2-fluoro-3-methoxyphenoxy)phenyl]boronic acid;methane;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;pyrazine-2-carbonitrile;pyrazin-2-ylmethanamine?
The InChIKey is NDFBROIDRITQRE-VSFIJVGPSA-N. The full InChI is InChI=1S/C19H19BrN4O2.C19H22N4O3.C19H20N4O2.C14H17NO4.C13H12BFO4.C5H7N3.C5H3N3.2CH4/c20-17-16-11-21-8-10-24(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;1-18-11-3-2-4-12(13(11)15)19-10-7-5-9(6-8-10)14(16)17;2*6-3-5-4-7-1-2-8-5;;/h1-3,5-6,8,10-11,15H,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);2-8,16-17H,1H3;1-2,4H,3,6H2;1-2,4H;2*1H4/t15-;2*16-;12-;;;;;/m1111...../s1.
What are the key properties of 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-(pyrazin-2-ylmethylcarbamoyl)piperidine-1-carboxylate;[4-(2-fluoro-3-methoxyphenoxy)phenyl]boronic acid;methane;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;pyrazine-2-carbonitrile;pyrazin-2-ylmethanamine?
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-(pyrazin-2-ylmethylcarbamoyl)piperidine-1-carboxylate;[4-(2-fluoro-3-methoxyphenoxy)phenyl]boronic acid;methane;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;pyrazine-2-carbonitrile;pyrazin-2-ylmethanamine has a molecular weight of 1877.75 g/mol, XLogP of 14.38, 19 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 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-(pyrazin-2-ylmethylcarbamoyl)piperidine-1-carboxylate;[4-(2-fluoro-3-methoxyphenoxy)phenyl]boronic acid;methane;(3R)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;pyrazine-2-carbonitrile;pyrazin-2-ylmethanamine is sourced from PubChem (CID 159747372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).