3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[(4-methoxyphenyl)methyl]benzamide;3-boronobenzoic acid;tert-butyl 3-(8-amino-5-bromoimidazo[1,2-a]pyrazin-2-yl)piperidine-1-carboxylate;tert-butyl 3-[8-amino-5-[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]imidazo[1,2-a]pyrazin-2-yl]piperidine-1-carboxylate;[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]boronic acid

C95H109B2BrN18O16 — CID 157299092

IUPAC3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[(4-methoxyphenyl)methyl]benzamide;3-boronobenzoic acid;tert-butyl 3-(8-amino-5-bromoimidazo[1,2-a]pyrazin-2-yl)piperidine-1-carboxylate;tert-butyl 3-[8-amino-5-[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]imidazo[1,2-a]pyrazin-2-yl]piperidine-1-carboxylate;[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]boronic acid
SMILESCC(C)(C)OC(=O)N1CCCC(c2cn3c(Br)cnc(N)c3n2)C1.COc1ccc(CNC(=O)c2cccc(-c3cnc(N)c4nc(C5CCCN(C(=O)OC(C)(C)C)C5)cn34)c2)cc1.COc1ccc(CNC(=O)c2cccc(-c3cnc(N)c4nc(C5CCCNC5)cn34)c2)cc1.COc1ccc(CNC(=O)c2cccc(B(O)O)c2)cc1.O=C(O)c1cccc(B(O)O)c1
InChIInChI=1S/C31H36N6O4.C26H28N6O2.C16H22BrN5O2.C15H16BNO4.C7H7BO4/c1-31(2,3)41-30(39)36-14-6-9-23(18-36)25-19-37-26(17-33-27(32)28(37)35-25)21-7-5-8-22(15-21)29(38)34-16-20-10-12-24(40-4)13-11-20;1-34-21-9-7-17(8-10-21)13-30-26(33)19-5-2-4-18(12-19)23-15-29-24(27)25-31-22(16-32(23)25)20-6-3-11-28-14-20;1-16(2,3)24-15(23)21-6-4-5-10(8-21)11-9-22-12(17)7-19-13(18)14(22)20-11;1-21-14-7-5-11(6-8-14)10-17-15(18)12-3-2-4-13(9-12)16(19)20;9-7(10)5-2-1-3-6(4-5)8(11)12/h5,7-8,10-13,15,17,19,23H,6,9,14,16,18H2,1-4H3,(H2,32,33)(H,34,38);2,4-5,7-10,12,15-16,20,28H,3,6,11,13-14H2,1H3,(H2,27,29)(H,30,33);7,9-10H,4-6,8H2,1-3H3,(H2,18,19);2-9,19-20H,10H2,1H3,(H,17,18);1-4,11-12H,(H,9,10)
InChIKeyBBRKOXDQDQCXRG-UHFFFAOYSA-N
MW1860.55 g/mol
LogP10.97
Rot. Bonds20

About 3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[(4-methoxyphenyl)methyl]benzamide;3-boronobenzoic acid;tert-butyl 3-(8-amino-5-bromoimidazo[1,2-a]pyrazin-2-yl)piperidine-1-carboxylate;tert-butyl 3-[8-amino-5-[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]imidazo[1,2-a]pyrazin-2-yl]piperidine-1-carboxylate;[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]boronic acid

3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[(4-methoxyphenyl)methyl]benzamide;3-boronobenzoic acid;tert-butyl 3-(8-amino-5-bromoimidazo[1,2-a]pyrazin-2-yl)piperidine-1-carboxylate;tert-butyl 3-[8-amino-5-[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]imidazo[1,2-a]pyrazin-2-yl]piperidine-1-carboxylate;[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]boronic acid (PubChem CID 157299092) has the molecular formula C95H109B2BrN18O16 and a molecular weight of 1860.55 g/mol. Its IUPAC name is 3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[(4-methoxyphenyl)methyl]benzamide;3-boronobenzoic acid;tert-butyl 3-(8-amino-5-bromoimidazo[1,2-a]pyrazin-2-yl)piperidine-1-carboxylate;tert-butyl 3-[8-amino-5-[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]imidazo[1,2-a]pyrazin-2-yl]piperidine-1-carboxylate;[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]boronic acid.

Molecular Properties

Compound Name3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[(4-methoxyphenyl)methyl]benzamide;3-boronobenzoic acid;tert-butyl 3-(8-amino-5-bromoimidazo[1,2-a]pyrazin-2-yl)piperidine-1-carboxylate;tert-butyl 3-[8-amino-5-[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]imidazo[1,2-a]pyrazin-2-yl]piperidine-1-carboxylate;[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]boronic acid
PubChem CID157299092
Molecular FormulaC95H109B2BrN18O16
Molecular Weight1860.55 g/mol
Exact Mass1858.76
IUPAC Name3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[(4-methoxyphenyl)methyl]benzamide;3-boronobenzoic acid;tert-butyl 3-(8-amino-5-bromoimidazo[1,2-a]pyrazin-2-yl)piperidine-1-carboxylate;tert-butyl 3-[8-amino-5-[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]imidazo[1,2-a]pyrazin-2-yl]piperidine-1-carboxylate;[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]boronic acid
SMILESCC(C)(C)OC(=O)N1CCCC(c2cn3c(Br)cnc(N)c3n2)C1.COc1ccc(CNC(=O)c2cccc(-c3cnc(N)c4nc(C5CCCN(C(=O)OC(C)(C)C)C5)cn34)c2)cc1.COc1ccc(CNC(=O)c2cccc(-c3cnc(N)c4nc(C5CCCNC5)cn34)c2)cc1.COc1ccc(CNC(=O)c2cccc(B(O)O)c2)cc1.O=C(O)c1cccc(B(O)O)c1
InChIInChI=1S/C31H36N6O4.C26H28N6O2.C16H22BrN5O2.C15H16BNO4.C7H7BO4/c1-31(2,3)41-30(39)36-14-6-9-23(18-36)25-19-37-26(17-33-27(32)28(37)35-25)21-7-5-8-22(15-21)29(38)34-16-20-10-12-24(40-4)13-11-20;1-34-21-9-7-17(8-10-21)13-30-26(33)19-5-2-4-18(12-19)23-15-29-24(27)25-31-22(16-32(23)25)20-6-3-11-28-14-20;1-16(2,3)24-15(23)21-6-4-5-10(8-21)11-9-22-12(17)7-19-13(18)14(22)20-11;1-21-14-7-5-11(6-8-14)10-17-15(18)12-3-2-4-13(9-12)16(19)20;9-7(10)5-2-1-3-6(4-5)8(11)12/h5,7-8,10-13,15,17,19,23H,6,9,14,16,18H2,1-4H3,(H2,32,33)(H,34,38);2,4-5,7-10,12,15-16,20,28H,3,6,11,13-14H2,1H3,(H2,27,29)(H,30,33);7,9-10H,4-6,8H2,1-3H3,(H2,18,19);2-9,19-20H,10H2,1H3,(H,17,18);1-4,11-12H,(H,9,10)
InChIKeyBBRKOXDQDQCXRG-UHFFFAOYSA-N
XLogP10.97
TPSA472.95 Ų
H-Bond Donors12
H-Bond Acceptors28
Rotatable Bonds20
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001860.55
LogP ≤ 510.97
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[(4-methoxyphenyl)methyl]benzamide;3-boronobenzoic acid;tert-butyl 3-(8-amino-5-bromoimidazo[1,2-a]pyrazin-2-yl)piperidine-1-carboxylate;tert-butyl 3-[8-amino-5-[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]imidazo[1,2-a]pyrazin-2-yl]piperidine-1-carboxylate;[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]boronic acid with MolForge

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Related Compounds

bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxylic acid);5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(trifluoromethoxy)aniline
CID 158947957
Bis([4-[4-[[3-[4-(difluoromethoxy)-2,3-difluorophenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzoyl]piperazin-1-yl]-[1-methyl-1-(pyrrolidin-3-ylmethyl)piperidin-1-ium-4-yl]methanone);bis(2,2,2-trifluoroacetate)
CID 162384494
Tert-butyl 3-[8-amino-5-[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]imidazo[1,2-a]pyrazin-2-yl]piperidine-1-carboxylate
CID 57752785
3-(8-amino-2-piperidin-4-ylimidazo[1,2-a]pyrazin-5-yl)-N-[(4-methoxyphenyl)methyl]benzamide;ethane;methanol;2-methyl-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;2-propan-2-ylimidazo[1,2-a]pyrazin-8-amine
CID 144033571
ethyl 4-[2-methyl-6-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]benzoate;[3-(3-hydroxyphenyl)-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;[3-(4-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;[2-methyl-3-(3-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;[2-methyl-3-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;N-[3-[2-methyl-6-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide;[2-methyl-3-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone
CID 157368765
4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol;5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyrimidine-2,4-dione;3-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide
CID 157417624
4-[8-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(2-pyridin-3-ylethyl)benzamide;4-[8-[4-[(2R,5S)-2,4,5-trimethylpiperazin-1-yl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
CID 157568203
6-[[9-ethyl-2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]-N-methylhexanamide;4-[[[9-ethyl-2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]methyl]-N-methylbenzamide;3-[9-ethyl-8-[[methyl-[[4-[(E)-3-(methylamino)-3-oxoprop-1-enyl]phenyl]methyl]amino]methyl]-6-morpholin-4-ylpurin-2-yl]benzamide;(E)-3-[4-[[[9-ethyl-6-morpholin-4-yl-2-[3-(2-oxopropyl)phenyl]purin-8-yl]methyl-methylamino]methyl]phenyl]-N-methylprop-2-enamide
CID 157932265
benzyl (3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;ethanol;(4-phenoxyphenyl)boronic acid;1-(4-phenoxyphenyl)-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazin-8-amine;prop-2-enoyl chloride
CID 158040469
CID 158118789
CID 158118789
4-[8-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(pyridin-3-ylmethyl)benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;5-[8-(4-pyridin-3-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3,3a,7a-tetrahydroisoindol-1-one
CID 158177612
4-[6-[4-(4-aminopiperidine-1-carbonyl)-3-methylphenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-(6-bromoimidazo[1,2-a]pyrazin-3-yl)benzonitrile;tert-butyl N-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-methylbenzoyl]piperidin-4-yl]carbamate;[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl] formate
CID 158700039

Frequently Asked Questions

What is the IUPAC name of 3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[(4-methoxyphenyl)methyl]benzamide;3-boronobenzoic acid;tert-butyl 3-(8-amino-5-bromoimidazo[1,2-a]pyrazin-2-yl)piperidine-1-carboxylate;tert-butyl 3-[8-amino-5-[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]imidazo[1,2-a]pyrazin-2-yl]piperidine-1-carboxylate;[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]boronic acid?
The IUPAC name of 3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[(4-methoxyphenyl)methyl]benzamide;3-boronobenzoic acid;tert-butyl 3-(8-amino-5-bromoimidazo[1,2-a]pyrazin-2-yl)piperidine-1-carboxylate;tert-butyl 3-[8-amino-5-[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]imidazo[1,2-a]pyrazin-2-yl]piperidine-1-carboxylate;[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]boronic acid (CID 157299092) is 3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[(4-methoxyphenyl)methyl]benzamide;3-boronobenzoic acid;tert-butyl 3-(8-amino-5-bromoimidazo[1,2-a]pyrazin-2-yl)piperidine-1-carboxylate;tert-butyl 3-[8-amino-5-[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]imidazo[1,2-a]pyrazin-2-yl]piperidine-1-carboxylate;[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]boronic acid.
What is the SMILES notation for 3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[(4-methoxyphenyl)methyl]benzamide;3-boronobenzoic acid;tert-butyl 3-(8-amino-5-bromoimidazo[1,2-a]pyrazin-2-yl)piperidine-1-carboxylate;tert-butyl 3-[8-amino-5-[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]imidazo[1,2-a]pyrazin-2-yl]piperidine-1-carboxylate;[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]boronic acid?
The canonical SMILES for 3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[(4-methoxyphenyl)methyl]benzamide;3-boronobenzoic acid;tert-butyl 3-(8-amino-5-bromoimidazo[1,2-a]pyrazin-2-yl)piperidine-1-carboxylate;tert-butyl 3-[8-amino-5-[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]imidazo[1,2-a]pyrazin-2-yl]piperidine-1-carboxylate;[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]boronic acid is CC(C)(C)OC(=O)N1CCCC(c2cn3c(Br)cnc(N)c3n2)C1.COc1ccc(CNC(=O)c2cccc(-c3cnc(N)c4nc(C5CCCN(C(=O)OC(C)(C)C)C5)cn34)c2)cc1.COc1ccc(CNC(=O)c2cccc(-c3cnc(N)c4nc(C5CCCNC5)cn34)c2)cc1.COc1ccc(CNC(=O)c2cccc(B(O)O)c2)cc1.O=C(O)c1cccc(B(O)O)c1.
What is the InChIKey of 3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[(4-methoxyphenyl)methyl]benzamide;3-boronobenzoic acid;tert-butyl 3-(8-amino-5-bromoimidazo[1,2-a]pyrazin-2-yl)piperidine-1-carboxylate;tert-butyl 3-[8-amino-5-[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]imidazo[1,2-a]pyrazin-2-yl]piperidine-1-carboxylate;[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]boronic acid?
The InChIKey is BBRKOXDQDQCXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N6O4.C26H28N6O2.C16H22BrN5O2.C15H16BNO4.C7H7BO4/c1-31(2,3)41-30(39)36-14-6-9-23(18-36)25-19-37-26(17-33-27(32)28(37)35-25)21-7-5-8-22(15-21)29(38)34-16-20-10-12-24(40-4)13-11-20;1-34-21-9-7-17(8-10-21)13-30-26(33)19-5-2-4-18(12-19)23-15-29-24(27)25-31-22(16-32(23)25)20-6-3-11-28-14-20;1-16(2,3)24-15(23)21-6-4-5-10(8-21)11-9-22-12(17)7-19-13(18)14(22)20-11;1-21-14-7-5-11(6-8-14)10-17-15(18)12-3-2-4-13(9-12)16(19)20;9-7(10)5-2-1-3-6(4-5)8(11)12/h5,7-8,10-13,15,17,19,23H,6,9,14,16,18H2,1-4H3,(H2,32,33)(H,34,38);2,4-5,7-10,12,15-16,20,28H,3,6,11,13-14H2,1H3,(H2,27,29)(H,30,33);7,9-10H,4-6,8H2,1-3H3,(H2,18,19);2-9,19-20H,10H2,1H3,(H,17,18);1-4,11-12H,(H,9,10).
What are the key properties of 3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[(4-methoxyphenyl)methyl]benzamide;3-boronobenzoic acid;tert-butyl 3-(8-amino-5-bromoimidazo[1,2-a]pyrazin-2-yl)piperidine-1-carboxylate;tert-butyl 3-[8-amino-5-[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]imidazo[1,2-a]pyrazin-2-yl]piperidine-1-carboxylate;[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]boronic acid?
3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[(4-methoxyphenyl)methyl]benzamide;3-boronobenzoic acid;tert-butyl 3-(8-amino-5-bromoimidazo[1,2-a]pyrazin-2-yl)piperidine-1-carboxylate;tert-butyl 3-[8-amino-5-[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]imidazo[1,2-a]pyrazin-2-yl]piperidine-1-carboxylate;[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]boronic acid has a molecular weight of 1860.55 g/mol, XLogP of 10.97, 20 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[(4-methoxyphenyl)methyl]benzamide;3-boronobenzoic acid;tert-butyl 3-(8-amino-5-bromoimidazo[1,2-a]pyrazin-2-yl)piperidine-1-carboxylate;tert-butyl 3-[8-amino-5-[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]imidazo[1,2-a]pyrazin-2-yl]piperidine-1-carboxylate;[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]boronic acid is sourced from PubChem (CID 157299092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).