N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[(2R)-2-methylpiperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]acetamide

C133H158N48O22 — CID 159029238

IUPACN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[(2R)-2-methylpiperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)nc2)CC1.C[C@@H]1CNCCN1c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nc1.C[C@H]1CN(C(=O)c2ccccc2)CCN1c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nc1.C[C@H]1CNCCN1c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nc1.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(C(=O)CC(C)(C)C)CC3)cn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cn2)n(C)c1=O
InChIInChI=1S/C26H28N8O4.C25H26N8O4.C24H32N8O4.C20H24N8O4.2C19H24N8O3/c1-17-14-32(24(36)18-7-5-4-6-8-18)11-12-34(17)19-9-10-20(27-13-19)29-21(35)15-33-16-28-23-22(33)25(37)31(3)26(38)30(23)2;1-29-22-21(24(36)30(2)25(29)37)33(16-27-22)15-20(34)28-19-9-8-18(14-26-19)31-10-12-32(13-11-31)23(35)17-6-4-3-5-7-17;1-24(2,3)12-19(34)31-10-8-30(9-11-31)16-6-7-17(25-13-16)27-18(33)14-32-15-26-21-20(32)22(35)29(5)23(36)28(21)4;1-13(29)26-6-8-27(9-7-26)14-4-5-15(21-10-14)23-16(30)11-28-12-22-18-17(28)19(31)25(3)20(32)24(18)2;2*1-12-8-20-6-7-27(12)13-4-5-14(21-9-13)23-15(28)10-26-11-22-17-16(26)18(29)25(3)19(30)24(17)2/h4-10,13,16-17H,11-12,14-15H2,1-3H3,(H,27,29,35);3-9,14,16H,10-13,15H2,1-2H3,(H,26,28,34);6-7,13,15H,8-12,14H2,1-5H3,(H,25,27,33);4-5,10,12H,6-9,11H2,1-3H3,(H,21,23,30);2*4-5,9,11-12,20H,6-8,10H2,1-3H3,(H,21,23,28)/t17-;;;;2*12-/m0...10/s1
InChIKeyJUQZABUCFRHULX-JNCLUUCXSA-N
MW2781.04 g/mol
LogP-0.53
Rot. Bonds27

About N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[(2R)-2-methylpiperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]acetamide

N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[(2R)-2-methylpiperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]acetamide (PubChem CID 159029238) has the molecular formula C133H158N48O22 and a molecular weight of 2781.04 g/mol. Its IUPAC name is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[(2R)-2-methylpiperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[(2R)-2-methylpiperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]acetamide
PubChem CID159029238
Molecular FormulaC133H158N48O22
Molecular Weight2781.04 g/mol
Exact Mass2779.27
IUPAC NameN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[(2R)-2-methylpiperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)nc2)CC1.C[C@@H]1CNCCN1c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nc1.C[C@H]1CN(C(=O)c2ccccc2)CCN1c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nc1.C[C@H]1CNCCN1c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nc1.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(C(=O)CC(C)(C)C)CC3)cn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cn2)n(C)c1=O
InChIInChI=1S/C26H28N8O4.C25H26N8O4.C24H32N8O4.C20H24N8O4.2C19H24N8O3/c1-17-14-32(24(36)18-7-5-4-6-8-18)11-12-34(17)19-9-10-20(27-13-19)29-21(35)15-33-16-28-23-22(33)25(37)31(3)26(38)30(23)2;1-29-22-21(24(36)30(2)25(29)37)33(16-27-22)15-20(34)28-19-9-8-18(14-26-19)31-10-12-32(13-11-31)23(35)17-6-4-3-5-7-17;1-24(2,3)12-19(34)31-10-8-30(9-11-31)16-6-7-17(25-13-16)27-18(33)14-32-15-26-21-20(32)22(35)29(5)23(36)28(21)4;1-13(29)26-6-8-27(9-7-26)14-4-5-15(21-10-14)23-16(30)11-28-12-22-18-17(28)19(31)25(3)20(32)24(18)2;2*1-12-8-20-6-7-27(12)13-4-5-14(21-9-13)23-15(28)10-26-11-22-17-16(26)18(29)25(3)19(30)24(17)2/h4-10,13,16-17H,11-12,14-15H2,1-3H3,(H,27,29,35);3-9,14,16H,10-13,15H2,1-2H3,(H,26,28,34);6-7,13,15H,8-12,14H2,1-5H3,(H,25,27,33);4-5,10,12H,6-9,11H2,1-3H3,(H,21,23,30);2*4-5,9,11-12,20H,6-8,10H2,1-3H3,(H,21,23,28)/t17-;;;;2*12-/m0...10/s1
InChIKeyJUQZABUCFRHULX-JNCLUUCXSA-N
XLogP-0.53
TPSA747.60 Ų
H-Bond Donors8
H-Bond Acceptors60
Rotatable Bonds27
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002781.04
LogP ≤ 5-0.53
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1060

Analyze N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[(2R)-2-methylpiperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

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CID 58768631
4-[[5-[4-[3-(Diethylamino)pyrrolidin-1-yl]piperidin-1-yl]-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one
CID 86304865
3-[[6-[1-[[(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]-3-pyridinyl]amino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide
CID 156551376
(S)-7-((6-([1,3-bipynolidin]-1''-yl)pyridin-2-yl)amino)-4-(1-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-one
CID 156163787
(R)-7-((6-([1,3-bipyrrolidin]-1-yl)pyridin-2-yl)amino)-1-(1-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-one
CID 156163899
6-(2,6-dioxopiperidin-3-yl)-3-methylpyrrolo[3,4-b]pyrazine-5,7-dione;6-(2,6-dioxopiperidin-3-yl)-3-methylpyrrolo[3,4-b]pyridine-5,7-dione;3-(4-fluoro-3-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl)piperidine-2,6-dione;3-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyrazin-6-yl)piperidine-2,6-dione;3-(3-methyl-7-oxo-5H-pyrrolo[3,4-b]pyrazin-6-yl)piperidine-2,6-dione;3-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)piperidine-2,6-dione;3-(3-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl)piperidine-2,6-dione;3-(2-methyl-5-oxo-7H-pyrrolo[3,4-d]pyrimidin-6-yl)piperidine-2,6-dione
CID 167676231
CID 46889381
CID 46889381
3-[[6-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,9-diazaspiro[5.5]undecan-3-yl]-3-pyridinyl]amino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide
CID 172471508
(2R)-1-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-N-[4-[(E)-2-[4-[[(2R)-1-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]vinyl]phenyl]pyrrolidine-2-carboxamide
CID 71598101
N-{cis-4-[1-{3-[(1-azabicyclo[2.2.2]oct-3-ylamino)carbonyl]phenyl}-6-fluoro-2,4-dioxo-1,4-dihydropyrido[2,3-d]pyrimidin-3(2H)-yl]cyclohexyl}-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
CID 57689831
N-[4-[1-[3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]carbamoyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
CID 66824360
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide
CID 86764049

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[(2R)-2-methylpiperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[(2R)-2-methylpiperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]acetamide (CID 159029238) is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[(2R)-2-methylpiperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[(2R)-2-methylpiperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[(2R)-2-methylpiperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]acetamide is CC(=O)N1CCN(c2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)nc2)CC1.C[C@@H]1CNCCN1c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nc1.C[C@H]1CN(C(=O)c2ccccc2)CCN1c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nc1.C[C@H]1CNCCN1c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nc1.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(C(=O)CC(C)(C)C)CC3)cn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cn2)n(C)c1=O.
What is the InChIKey of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[(2R)-2-methylpiperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]acetamide?
The InChIKey is JUQZABUCFRHULX-JNCLUUCXSA-N. The full InChI is InChI=1S/C26H28N8O4.C25H26N8O4.C24H32N8O4.C20H24N8O4.2C19H24N8O3/c1-17-14-32(24(36)18-7-5-4-6-8-18)11-12-34(17)19-9-10-20(27-13-19)29-21(35)15-33-16-28-23-22(33)25(37)31(3)26(38)30(23)2;1-29-22-21(24(36)30(2)25(29)37)33(16-27-22)15-20(34)28-19-9-8-18(14-26-19)31-10-12-32(13-11-31)23(35)17-6-4-3-5-7-17;1-24(2,3)12-19(34)31-10-8-30(9-11-31)16-6-7-17(25-13-16)27-18(33)14-32-15-26-21-20(32)22(35)29(5)23(36)28(21)4;1-13(29)26-6-8-27(9-7-26)14-4-5-15(21-10-14)23-16(30)11-28-12-22-18-17(28)19(31)25(3)20(32)24(18)2;2*1-12-8-20-6-7-27(12)13-4-5-14(21-9-13)23-15(28)10-26-11-22-17-16(26)18(29)25(3)19(30)24(17)2/h4-10,13,16-17H,11-12,14-15H2,1-3H3,(H,27,29,35);3-9,14,16H,10-13,15H2,1-2H3,(H,26,28,34);6-7,13,15H,8-12,14H2,1-5H3,(H,25,27,33);4-5,10,12H,6-9,11H2,1-3H3,(H,21,23,30);2*4-5,9,11-12,20H,6-8,10H2,1-3H3,(H,21,23,28)/t17-;;;;2*12-/m0...10/s1.
What are the key properties of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[(2R)-2-methylpiperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]acetamide?
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[(2R)-2-methylpiperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]acetamide has a molecular weight of 2781.04 g/mol, XLogP of -0.53, 27 rotatable bonds, 8 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[(2R)-2-methylpiperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 159029238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).