7-[2-(2-aminopyrimidin-5-yl)-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-N-methylheptanamide;6-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-9-propan-2-ylpurin-8-yl]amino]-N-methylhexanamide;7-[2-[3-(hydroxymethyl)phenyl]-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-N-methylheptanamide;N-hydroxy-7-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]heptanamide;N-hydroxy-9-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenyl]-8-oxononanamide

C122H169N37O15 — CID 157347916

IUPAC7-[2-(2-aminopyrimidin-5-yl)-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-N-methylheptanamide;6-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-9-propan-2-ylpurin-8-yl]amino]-N-methylhexanamide;7-[2-[3-(hydroxymethyl)phenyl]-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-N-methylheptanamide;N-hydroxy-7-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]heptanamide;N-hydroxy-9-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenyl]-8-oxononanamide
SMILESCC(C)n1cnc2c(N3CCOCC3)nc(-c3cccc(CC(=O)CCCCCCC(=O)NO)c3)nc21.CC(C)n1cnc2c(N3CCOCC3)nc(-c3cccc(OCCCCCCC(=O)NO)c3)nc21.CNC(=O)CCCCCCn1cnc2c(N3CCC(O)CC3)nc(-c3cccc(CO)c3)nc21.CNC(=O)CCCCCCn1cnc2c(N3CCC(O)CC3)nc(-c3cnc(N)nc3)nc21.CNC(=O)CCCCCNc1nc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc2n1C(C)C
InChIInChI=1S/C27H36N6O4.C25H34N6O4.C25H34N6O3.C23H34N10O2.C22H31N9O2/c1-19(2)33-18-28-24-26(32-12-14-37-15-13-32)29-25(30-27(24)33)21-9-7-8-20(16-21)17-22(34)10-5-3-4-6-11-23(35)31-36;1-18(2)31-17-26-22-24(30-11-14-34-15-12-30)27-23(28-25(22)31)19-8-7-9-20(16-19)35-13-6-4-3-5-10-21(32)29-33;1-26-21(34)9-4-2-3-5-12-31-17-27-22-24(30-13-10-20(33)11-14-30)28-23(29-25(22)31)19-8-6-7-18(15-19)16-32;1-15(2)33-20-19(30-22(33)26-8-6-4-5-7-17(34)25-3)18(16-13-27-21(24)28-14-16)29-23(31-20)32-9-11-35-12-10-32;1-24-17(33)6-4-2-3-5-9-31-14-27-18-20(30-10-7-16(32)8-11-30)28-19(29-21(18)31)15-12-25-22(23)26-13-15/h7-9,16,18-19,36H,3-6,10-15,17H2,1-2H3,(H,31,35);7-9,16-18,33H,3-6,10-15H2,1-2H3,(H,29,32);6-8,15,17,20,32-33H,2-5,9-14,16H2,1H3,(H,26,34);13-15H,4-12H2,1-3H3,(H,25,34)(H,26,30)(H2,24,27,28);12-14,16,32H,2-11H2,1H3,(H,24,33)(H2,23,25,26)
InChIKeyBHEOMQWYLZWUQW-UHFFFAOYSA-N
MW2393.94 g/mol
LogP13.78
Rot. Bonds52

About 7-[2-(2-aminopyrimidin-5-yl)-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-N-methylheptanamide;6-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-9-propan-2-ylpurin-8-yl]amino]-N-methylhexanamide;7-[2-[3-(hydroxymethyl)phenyl]-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-N-methylheptanamide;N-hydroxy-7-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]heptanamide;N-hydroxy-9-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenyl]-8-oxononanamide

7-[2-(2-aminopyrimidin-5-yl)-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-N-methylheptanamide;6-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-9-propan-2-ylpurin-8-yl]amino]-N-methylhexanamide;7-[2-[3-(hydroxymethyl)phenyl]-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-N-methylheptanamide;N-hydroxy-7-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]heptanamide;N-hydroxy-9-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenyl]-8-oxononanamide (PubChem CID 157347916) has the molecular formula C122H169N37O15 and a molecular weight of 2393.94 g/mol. Its IUPAC name is 7-[2-(2-aminopyrimidin-5-yl)-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-N-methylheptanamide;6-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-9-propan-2-ylpurin-8-yl]amino]-N-methylhexanamide;7-[2-[3-(hydroxymethyl)phenyl]-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-N-methylheptanamide;N-hydroxy-7-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]heptanamide;N-hydroxy-9-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenyl]-8-oxononanamide.

Molecular Properties

Compound Name7-[2-(2-aminopyrimidin-5-yl)-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-N-methylheptanamide;6-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-9-propan-2-ylpurin-8-yl]amino]-N-methylhexanamide;7-[2-[3-(hydroxymethyl)phenyl]-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-N-methylheptanamide;N-hydroxy-7-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]heptanamide;N-hydroxy-9-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenyl]-8-oxononanamide
PubChem CID157347916
Molecular FormulaC122H169N37O15
Molecular Weight2393.94 g/mol
Exact Mass2392.36
IUPAC Name7-[2-(2-aminopyrimidin-5-yl)-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-N-methylheptanamide;6-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-9-propan-2-ylpurin-8-yl]amino]-N-methylhexanamide;7-[2-[3-(hydroxymethyl)phenyl]-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-N-methylheptanamide;N-hydroxy-7-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]heptanamide;N-hydroxy-9-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenyl]-8-oxononanamide
SMILESCC(C)n1cnc2c(N3CCOCC3)nc(-c3cccc(CC(=O)CCCCCCC(=O)NO)c3)nc21.CC(C)n1cnc2c(N3CCOCC3)nc(-c3cccc(OCCCCCCC(=O)NO)c3)nc21.CNC(=O)CCCCCCn1cnc2c(N3CCC(O)CC3)nc(-c3cccc(CO)c3)nc21.CNC(=O)CCCCCCn1cnc2c(N3CCC(O)CC3)nc(-c3cnc(N)nc3)nc21.CNC(=O)CCCCCNc1nc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc2n1C(C)C
InChIInChI=1S/C27H36N6O4.C25H34N6O4.C25H34N6O3.C23H34N10O2.C22H31N9O2/c1-19(2)33-18-28-24-26(32-12-14-37-15-13-32)29-25(30-27(24)33)21-9-7-8-20(16-21)17-22(34)10-5-3-4-6-11-23(35)31-36;1-18(2)31-17-26-22-24(30-11-14-34-15-12-30)27-23(28-25(22)31)19-8-7-9-20(16-19)35-13-6-4-3-5-10-21(32)29-33;1-26-21(34)9-4-2-3-5-12-31-17-27-22-24(30-13-10-20(33)11-14-30)28-23(29-25(22)31)19-8-6-7-18(15-19)16-32;1-15(2)33-20-19(30-22(33)26-8-6-4-5-7-17(34)25-3)18(16-13-27-21(24)28-14-16)29-23(31-20)32-9-11-35-12-10-32;1-24-17(33)6-4-2-3-5-9-31-14-27-18-20(30-10-7-16(32)8-11-30)28-19(29-21(18)31)15-12-25-22(23)26-13-15/h7-9,16,18-19,36H,3-6,10-15,17H2,1-2H3,(H,31,35);7-9,16-18,33H,3-6,10-15H2,1-2H3,(H,29,32);6-8,15,17,20,32-33H,2-5,9-14,16H2,1H3,(H,26,34);13-15H,4-12H2,1-3H3,(H,25,34)(H,26,30)(H2,24,27,28);12-14,16,32H,2-11H2,1H3,(H,24,33)(H2,23,25,26)
InChIKeyBHEOMQWYLZWUQW-UHFFFAOYSA-N
XLogP13.78
TPSA650.47 Ų
H-Bond Donors13
H-Bond Acceptors47
Rotatable Bonds52
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002393.94
LogP ≤ 513.78
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7-[2-(2-aminopyrimidin-5-yl)-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-N-methylheptanamide;6-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-9-propan-2-ylpurin-8-yl]amino]-N-methylhexanamide;7-[2-[3-(hydroxymethyl)phenyl]-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-N-methylheptanamide;N-hydroxy-7-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]heptanamide;N-hydroxy-9-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenyl]-8-oxononanamide with MolForge

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Related Compounds

1-[3-[7-(4-Amino-5-fluoropyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-5,5-difluorohexan-2-one;5,5-difluoro-1-[3-propan-2-yloxy-5-(7-pyrimidin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]hexan-2-one;1-[3-[7-(5,6-dimethyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(2,6-dimethylpyrimidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea
CID 157538439
(2S)-2-amino-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanamide;(2R,3S,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 87992453
2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[(2S,3R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methoxybenzamide;N-[(2S,3R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pyridine-3-carboxamide
CID 91007562
2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methoxybenzamide;N-[(2S,3R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pyridine-3-carboxamide
CID 91264882
3-[9-[(3-Ethyl-5-methoxyphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-[(3-fluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-(2-methoxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;methyl 4-[[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]methyl]benzoate;3-[9-[(3-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol
CID 123593688
3-(9-Benzyl-2-morpholin-4-ylpurin-6-yl)-5-fluorophenol;3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenol;[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]methanol;1-[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]propan-2-one
CID 123645421
3-[9-[2-(diethylamino)ethyl]-2-morpholin-4-ylpurin-6-yl]phenol;1-[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one;1-[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-3-piperidin-1-ylpropan-1-one;3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol
CID 123819187
N-cyclopropyl-2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetamide;2-[2-(2,6-dimethylmorpholin-4-yl)-6-(1H-inden-4-yl)purin-9-yl]acetonitrile;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-morpholin-4-ylethanone;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-propan-2-ylacetamide
CID 123979552
1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-ethylamino]propyl]-3-(4-tert-butylphenyl)urea;5-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-N-(4-tert-butylphenyl)pentanamide;1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propyl]-3-[4-(2-aminophenoxy)phenyl]urea;1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propyl]-3-(4-tert-butylphenyl)-1-methylurea;1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propyl]-3-(4-cyclohexylphenyl)urea
CID 157053713
4-[6-(2-aminopyrimidin-5-yl)-8-(diethylamino)-2-morpholin-4-ylpurin-9-yl]-N-methylbutanamide;1-[4-[[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-9-propan-2-ylpurin-8-yl]amino]methyl]phenyl]-2-hydroxyethanone;4-[9-ethyl-8-[[[4-[(1E)-3-(hydroxyamino)buta-1,3-dienyl]phenyl]methyl-methylamino]methyl]-6-morpholin-4-ylpurin-2-yl]benzamide;N-hydroxy-7-[4-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]heptanamide
CID 157073860
4-[3-[(2S)-1-but-2-ynoylpiperidin-2-yl]-8-methylimidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;methane;1-[(2S)-2-[8-methyl-1-[3-[(3-methylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;4-[8-methyl-3-[(2S)-1-prop-2-enoylpiperidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;4-[5-methyl-3-[(2S)-1-prop-2-enoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 157077282
[3-[cyclohexylmethoxy-(3-methylphenyl)methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;[3-[3-(cyclohexylmethoxy)phenyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;cyclohexyl-[4-[3-[2-methyl-6-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]piperazin-1-yl]methanone;[3-[hydroxy-(3-methylphenyl)methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;[2-methyl-3-(3-methylbenzoyl)imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;[2-methyl-3-[1-(3-methylphenyl)ethyl]imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;N-(2-methyl-3-phenylimidazo[1,2-a]pyridin-6-yl)oxane-4-carboxamide
CID 157169588

Frequently Asked Questions

What is the IUPAC name of 7-[2-(2-aminopyrimidin-5-yl)-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-N-methylheptanamide;6-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-9-propan-2-ylpurin-8-yl]amino]-N-methylhexanamide;7-[2-[3-(hydroxymethyl)phenyl]-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-N-methylheptanamide;N-hydroxy-7-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]heptanamide;N-hydroxy-9-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenyl]-8-oxononanamide?
The IUPAC name of 7-[2-(2-aminopyrimidin-5-yl)-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-N-methylheptanamide;6-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-9-propan-2-ylpurin-8-yl]amino]-N-methylhexanamide;7-[2-[3-(hydroxymethyl)phenyl]-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-N-methylheptanamide;N-hydroxy-7-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]heptanamide;N-hydroxy-9-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenyl]-8-oxononanamide (CID 157347916) is 7-[2-(2-aminopyrimidin-5-yl)-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-N-methylheptanamide;6-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-9-propan-2-ylpurin-8-yl]amino]-N-methylhexanamide;7-[2-[3-(hydroxymethyl)phenyl]-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-N-methylheptanamide;N-hydroxy-7-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]heptanamide;N-hydroxy-9-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenyl]-8-oxononanamide.
What is the SMILES notation for 7-[2-(2-aminopyrimidin-5-yl)-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-N-methylheptanamide;6-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-9-propan-2-ylpurin-8-yl]amino]-N-methylhexanamide;7-[2-[3-(hydroxymethyl)phenyl]-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-N-methylheptanamide;N-hydroxy-7-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]heptanamide;N-hydroxy-9-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenyl]-8-oxononanamide?
The canonical SMILES for 7-[2-(2-aminopyrimidin-5-yl)-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-N-methylheptanamide;6-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-9-propan-2-ylpurin-8-yl]amino]-N-methylhexanamide;7-[2-[3-(hydroxymethyl)phenyl]-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-N-methylheptanamide;N-hydroxy-7-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]heptanamide;N-hydroxy-9-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenyl]-8-oxononanamide is CC(C)n1cnc2c(N3CCOCC3)nc(-c3cccc(CC(=O)CCCCCCC(=O)NO)c3)nc21.CC(C)n1cnc2c(N3CCOCC3)nc(-c3cccc(OCCCCCCC(=O)NO)c3)nc21.CNC(=O)CCCCCCn1cnc2c(N3CCC(O)CC3)nc(-c3cccc(CO)c3)nc21.CNC(=O)CCCCCCn1cnc2c(N3CCC(O)CC3)nc(-c3cnc(N)nc3)nc21.CNC(=O)CCCCCNc1nc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc2n1C(C)C.
What is the InChIKey of 7-[2-(2-aminopyrimidin-5-yl)-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-N-methylheptanamide;6-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-9-propan-2-ylpurin-8-yl]amino]-N-methylhexanamide;7-[2-[3-(hydroxymethyl)phenyl]-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-N-methylheptanamide;N-hydroxy-7-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]heptanamide;N-hydroxy-9-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenyl]-8-oxononanamide?
The InChIKey is BHEOMQWYLZWUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O4.C25H34N6O4.C25H34N6O3.C23H34N10O2.C22H31N9O2/c1-19(2)33-18-28-24-26(32-12-14-37-15-13-32)29-25(30-27(24)33)21-9-7-8-20(16-21)17-22(34)10-5-3-4-6-11-23(35)31-36;1-18(2)31-17-26-22-24(30-11-14-34-15-12-30)27-23(28-25(22)31)19-8-7-9-20(16-19)35-13-6-4-3-5-10-21(32)29-33;1-26-21(34)9-4-2-3-5-12-31-17-27-22-24(30-13-10-20(33)11-14-30)28-23(29-25(22)31)19-8-6-7-18(15-19)16-32;1-15(2)33-20-19(30-22(33)26-8-6-4-5-7-17(34)25-3)18(16-13-27-21(24)28-14-16)29-23(31-20)32-9-11-35-12-10-32;1-24-17(33)6-4-2-3-5-9-31-14-27-18-20(30-10-7-16(32)8-11-30)28-19(29-21(18)31)15-12-25-22(23)26-13-15/h7-9,16,18-19,36H,3-6,10-15,17H2,1-2H3,(H,31,35);7-9,16-18,33H,3-6,10-15H2,1-2H3,(H,29,32);6-8,15,17,20,32-33H,2-5,9-14,16H2,1H3,(H,26,34);13-15H,4-12H2,1-3H3,(H,25,34)(H,26,30)(H2,24,27,28);12-14,16,32H,2-11H2,1H3,(H,24,33)(H2,23,25,26).
What are the key properties of 7-[2-(2-aminopyrimidin-5-yl)-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-N-methylheptanamide;6-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-9-propan-2-ylpurin-8-yl]amino]-N-methylhexanamide;7-[2-[3-(hydroxymethyl)phenyl]-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-N-methylheptanamide;N-hydroxy-7-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]heptanamide;N-hydroxy-9-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenyl]-8-oxononanamide?
7-[2-(2-aminopyrimidin-5-yl)-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-N-methylheptanamide;6-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-9-propan-2-ylpurin-8-yl]amino]-N-methylhexanamide;7-[2-[3-(hydroxymethyl)phenyl]-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-N-methylheptanamide;N-hydroxy-7-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]heptanamide;N-hydroxy-9-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenyl]-8-oxononanamide has a molecular weight of 2393.94 g/mol, XLogP of 13.78, 52 rotatable bonds, 13 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2-aminopyrimidin-5-yl)-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-N-methylheptanamide;6-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-9-propan-2-ylpurin-8-yl]amino]-N-methylhexanamide;7-[2-[3-(hydroxymethyl)phenyl]-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-N-methylheptanamide;N-hydroxy-7-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]heptanamide;N-hydroxy-9-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenyl]-8-oxononanamide is sourced from PubChem (CID 157347916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).