7-[2-(2-aminopyrimidin-5-yl)-6-[4-(hydroxymethyl)piperidin-1-yl]purin-9-yl]-N-methylheptanamide;3-[7-[7-(hydroxyamino)oct-7-enyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenol;7-[2-[3-(hydroxymethyl)phenyl]-6-[4-(hydroxymethyl)piperidin-1-yl]purin-9-yl]-N-methylheptanamide;N-hydroxy-4-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]butanamide;N-hydroxy-4-[4-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]butanamide

C117H156N32O16 — CID 159046111

IUPAC7-[2-(2-aminopyrimidin-5-yl)-6-[4-(hydroxymethyl)piperidin-1-yl]purin-9-yl]-N-methylheptanamide;3-[7-[7-(hydroxyamino)oct-7-enyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenol;7-[2-[3-(hydroxymethyl)phenyl]-6-[4-(hydroxymethyl)piperidin-1-yl]purin-9-yl]-N-methylheptanamide;N-hydroxy-4-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]butanamide;N-hydroxy-4-[4-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]butanamide
SMILESC=C(CCCCCCn1ccc2c(N3CCOCC3)nc(-c3cccc(O)c3)nc21)NO.CC(C)n1cnc2c(N3CCOCC3)nc(-c3ccc(OCCCC(=O)NO)cc3)nc21.CC(C)n1cnc2c(N3CCOCC3)nc(-c3cccc(OCCCC(=O)NO)c3)nc21.CNC(=O)CCCCCCn1cnc2c(N3CCC(CO)CC3)nc(-c3cccc(CO)c3)nc21.CNC(=O)CCCCCCn1cnc2c(N3CCC(CO)CC3)nc(-c3cnc(N)nc3)nc21
InChIInChI=1S/C26H36N6O3.C24H31N5O3.C23H33N9O2.2C22H28N6O4/c1-27-22(35)9-4-2-3-5-12-32-18-28-23-25(31-13-10-19(16-33)11-14-31)29-24(30-26(23)32)21-8-6-7-20(15-21)17-34;1-18(27-31)7-4-2-3-5-11-28-12-10-21-23(28)25-22(19-8-6-9-20(30)17-19)26-24(21)29-13-15-32-16-14-29;1-25-18(34)6-4-2-3-5-9-32-15-28-19-21(31-10-7-16(14-33)8-11-31)29-20(30-22(19)32)17-12-26-23(24)27-13-17;1-15(2)28-14-23-19-21(27-8-11-31-12-9-27)24-20(25-22(19)28)16-5-3-6-17(13-16)32-10-4-7-18(29)26-30;1-15(2)28-14-23-19-21(27-9-12-31-13-10-27)24-20(25-22(19)28)16-5-7-17(8-6-16)32-11-3-4-18(29)26-30/h6-8,15,18-19,33-34H,2-5,9-14,16-17H2,1H3,(H,27,35);6,8-10,12,17,27,30-31H,1-5,7,11,13-16H2;12-13,15-16,33H,2-11,14H2,1H3,(H,25,34)(H2,24,26,27);3,5-6,13-15,30H,4,7-12H2,1-2H3,(H,26,29);5-8,14-15,30H,3-4,9-13H2,1-2H3,(H,26,29)
InChIKeyJWRFBCIRERWEQQ-UHFFFAOYSA-N
MW2266.74 g/mol
LogP13.90
Rot. Bonds47

About 7-[2-(2-aminopyrimidin-5-yl)-6-[4-(hydroxymethyl)piperidin-1-yl]purin-9-yl]-N-methylheptanamide;3-[7-[7-(hydroxyamino)oct-7-enyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenol;7-[2-[3-(hydroxymethyl)phenyl]-6-[4-(hydroxymethyl)piperidin-1-yl]purin-9-yl]-N-methylheptanamide;N-hydroxy-4-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]butanamide;N-hydroxy-4-[4-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]butanamide

7-[2-(2-aminopyrimidin-5-yl)-6-[4-(hydroxymethyl)piperidin-1-yl]purin-9-yl]-N-methylheptanamide;3-[7-[7-(hydroxyamino)oct-7-enyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenol;7-[2-[3-(hydroxymethyl)phenyl]-6-[4-(hydroxymethyl)piperidin-1-yl]purin-9-yl]-N-methylheptanamide;N-hydroxy-4-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]butanamide;N-hydroxy-4-[4-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]butanamide (PubChem CID 159046111) has the molecular formula C117H156N32O16 and a molecular weight of 2266.74 g/mol. Its IUPAC name is 7-[2-(2-aminopyrimidin-5-yl)-6-[4-(hydroxymethyl)piperidin-1-yl]purin-9-yl]-N-methylheptanamide;3-[7-[7-(hydroxyamino)oct-7-enyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenol;7-[2-[3-(hydroxymethyl)phenyl]-6-[4-(hydroxymethyl)piperidin-1-yl]purin-9-yl]-N-methylheptanamide;N-hydroxy-4-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]butanamide;N-hydroxy-4-[4-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]butanamide.

Molecular Properties

Compound Name7-[2-(2-aminopyrimidin-5-yl)-6-[4-(hydroxymethyl)piperidin-1-yl]purin-9-yl]-N-methylheptanamide;3-[7-[7-(hydroxyamino)oct-7-enyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenol;7-[2-[3-(hydroxymethyl)phenyl]-6-[4-(hydroxymethyl)piperidin-1-yl]purin-9-yl]-N-methylheptanamide;N-hydroxy-4-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]butanamide;N-hydroxy-4-[4-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]butanamide
PubChem CID159046111
Molecular FormulaC117H156N32O16
Molecular Weight2266.74 g/mol
Exact Mass2265.24
IUPAC Name7-[2-(2-aminopyrimidin-5-yl)-6-[4-(hydroxymethyl)piperidin-1-yl]purin-9-yl]-N-methylheptanamide;3-[7-[7-(hydroxyamino)oct-7-enyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenol;7-[2-[3-(hydroxymethyl)phenyl]-6-[4-(hydroxymethyl)piperidin-1-yl]purin-9-yl]-N-methylheptanamide;N-hydroxy-4-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]butanamide;N-hydroxy-4-[4-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]butanamide
SMILESC=C(CCCCCCn1ccc2c(N3CCOCC3)nc(-c3cccc(O)c3)nc21)NO.CC(C)n1cnc2c(N3CCOCC3)nc(-c3ccc(OCCCC(=O)NO)cc3)nc21.CC(C)n1cnc2c(N3CCOCC3)nc(-c3cccc(OCCCC(=O)NO)c3)nc21.CNC(=O)CCCCCCn1cnc2c(N3CCC(CO)CC3)nc(-c3cccc(CO)c3)nc21.CNC(=O)CCCCCCn1cnc2c(N3CCC(CO)CC3)nc(-c3cnc(N)nc3)nc21
InChIInChI=1S/C26H36N6O3.C24H31N5O3.C23H33N9O2.2C22H28N6O4/c1-27-22(35)9-4-2-3-5-12-32-18-28-23-25(31-13-10-19(16-33)11-14-31)29-24(30-26(23)32)21-8-6-7-20(15-21)17-34;1-18(27-31)7-4-2-3-5-11-28-12-10-21-23(28)25-22(19-8-6-9-20(30)17-19)26-24(21)29-13-15-32-16-14-29;1-25-18(34)6-4-2-3-5-9-32-15-28-19-21(31-10-7-16(14-33)8-11-31)29-20(30-22(19)32)17-12-26-23(24)27-13-17;1-15(2)28-14-23-19-21(27-8-11-31-12-9-27)24-20(25-22(19)28)16-5-3-6-17(13-16)32-10-4-7-18(29)26-30;1-15(2)28-14-23-19-21(27-9-12-31-13-10-27)24-20(25-22(19)28)16-5-7-17(8-6-16)32-11-3-4-18(29)26-30/h6-8,15,18-19,33-34H,2-5,9-14,16-17H2,1H3,(H,27,35);6,8-10,12,17,27,30-31H,1-5,7,11,13-16H2;12-13,15-16,33H,2-11,14H2,1H3,(H,25,34)(H2,24,26,27);3,5-6,13-15,30H,4,7-12H2,1-2H3,(H,26,29);5-8,14-15,30H,3-4,9-13H2,1-2H3,(H,26,29)
InChIKeyJWRFBCIRERWEQQ-UHFFFAOYSA-N
XLogP13.90
TPSA589.30 Ų
H-Bond Donors13
H-Bond Acceptors44
Rotatable Bonds47
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002266.74
LogP ≤ 513.90
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1044

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-(hydroxymethyl)piperidin-1-yl]purin-9-yl]-N-methylheptanamide;3-[7-[7-(hydroxyamino)oct-7-enyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenol;7-[2-[3-(hydroxymethyl)phenyl]-6-[4-(hydroxymethyl)piperidin-1-yl]purin-9-yl]-N-methylheptanamide;N-hydroxy-4-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]butanamide;N-hydroxy-4-[4-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]butanamide with MolForge

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Related Compounds

CID 157523316
CID 157523316
(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-hydroxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxyphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide
CID 161488740
(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
4-[6-(3H-benzimidazol-5-yl)-9-(cyclopropylmethyl)purin-2-yl]morpholine;4-[9-benzyl-6-(1H-indol-5-yl)purin-2-yl]morpholine;3-[2-morpholin-4-yl-9-(oxan-2-yl)purin-6-yl]phenol;1-[3-(2-morpholin-4-yl-9-phenylpurin-6-yl)phenyl]propan-2-one
CID 123274749
4-[9-benzyl-6-(1H-indol-6-yl)purin-2-yl]morpholine;3-[9-[(2,6-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-[(3-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol
CID 123637067
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
2-cyclopentyl-7-[3-(3-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-[3-(2-methoxyethoxy)phenyl]pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-[4-(2-methoxyethoxy)phenyl]pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;bis(2-methoxyethanol)
CID 157083580
CID 157162720
CID 157162720

Frequently Asked Questions

What is the IUPAC name of 7-[2-(2-aminopyrimidin-5-yl)-6-[4-(hydroxymethyl)piperidin-1-yl]purin-9-yl]-N-methylheptanamide;3-[7-[7-(hydroxyamino)oct-7-enyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenol;7-[2-[3-(hydroxymethyl)phenyl]-6-[4-(hydroxymethyl)piperidin-1-yl]purin-9-yl]-N-methylheptanamide;N-hydroxy-4-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]butanamide;N-hydroxy-4-[4-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]butanamide?
The IUPAC name of 7-[2-(2-aminopyrimidin-5-yl)-6-[4-(hydroxymethyl)piperidin-1-yl]purin-9-yl]-N-methylheptanamide;3-[7-[7-(hydroxyamino)oct-7-enyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenol;7-[2-[3-(hydroxymethyl)phenyl]-6-[4-(hydroxymethyl)piperidin-1-yl]purin-9-yl]-N-methylheptanamide;N-hydroxy-4-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]butanamide;N-hydroxy-4-[4-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]butanamide (CID 159046111) is 7-[2-(2-aminopyrimidin-5-yl)-6-[4-(hydroxymethyl)piperidin-1-yl]purin-9-yl]-N-methylheptanamide;3-[7-[7-(hydroxyamino)oct-7-enyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenol;7-[2-[3-(hydroxymethyl)phenyl]-6-[4-(hydroxymethyl)piperidin-1-yl]purin-9-yl]-N-methylheptanamide;N-hydroxy-4-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]butanamide;N-hydroxy-4-[4-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]butanamide.
What is the SMILES notation for 7-[2-(2-aminopyrimidin-5-yl)-6-[4-(hydroxymethyl)piperidin-1-yl]purin-9-yl]-N-methylheptanamide;3-[7-[7-(hydroxyamino)oct-7-enyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenol;7-[2-[3-(hydroxymethyl)phenyl]-6-[4-(hydroxymethyl)piperidin-1-yl]purin-9-yl]-N-methylheptanamide;N-hydroxy-4-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]butanamide;N-hydroxy-4-[4-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]butanamide?
The canonical SMILES for 7-[2-(2-aminopyrimidin-5-yl)-6-[4-(hydroxymethyl)piperidin-1-yl]purin-9-yl]-N-methylheptanamide;3-[7-[7-(hydroxyamino)oct-7-enyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenol;7-[2-[3-(hydroxymethyl)phenyl]-6-[4-(hydroxymethyl)piperidin-1-yl]purin-9-yl]-N-methylheptanamide;N-hydroxy-4-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]butanamide;N-hydroxy-4-[4-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]butanamide is C=C(CCCCCCn1ccc2c(N3CCOCC3)nc(-c3cccc(O)c3)nc21)NO.CC(C)n1cnc2c(N3CCOCC3)nc(-c3ccc(OCCCC(=O)NO)cc3)nc21.CC(C)n1cnc2c(N3CCOCC3)nc(-c3cccc(OCCCC(=O)NO)c3)nc21.CNC(=O)CCCCCCn1cnc2c(N3CCC(CO)CC3)nc(-c3cccc(CO)c3)nc21.CNC(=O)CCCCCCn1cnc2c(N3CCC(CO)CC3)nc(-c3cnc(N)nc3)nc21.
What is the InChIKey of 7-[2-(2-aminopyrimidin-5-yl)-6-[4-(hydroxymethyl)piperidin-1-yl]purin-9-yl]-N-methylheptanamide;3-[7-[7-(hydroxyamino)oct-7-enyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenol;7-[2-[3-(hydroxymethyl)phenyl]-6-[4-(hydroxymethyl)piperidin-1-yl]purin-9-yl]-N-methylheptanamide;N-hydroxy-4-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]butanamide;N-hydroxy-4-[4-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]butanamide?
The InChIKey is JWRFBCIRERWEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O3.C24H31N5O3.C23H33N9O2.2C22H28N6O4/c1-27-22(35)9-4-2-3-5-12-32-18-28-23-25(31-13-10-19(16-33)11-14-31)29-24(30-26(23)32)21-8-6-7-20(15-21)17-34;1-18(27-31)7-4-2-3-5-11-28-12-10-21-23(28)25-22(19-8-6-9-20(30)17-19)26-24(21)29-13-15-32-16-14-29;1-25-18(34)6-4-2-3-5-9-32-15-28-19-21(31-10-7-16(14-33)8-11-31)29-20(30-22(19)32)17-12-26-23(24)27-13-17;1-15(2)28-14-23-19-21(27-8-11-31-12-9-27)24-20(25-22(19)28)16-5-3-6-17(13-16)32-10-4-7-18(29)26-30;1-15(2)28-14-23-19-21(27-9-12-31-13-10-27)24-20(25-22(19)28)16-5-7-17(8-6-16)32-11-3-4-18(29)26-30/h6-8,15,18-19,33-34H,2-5,9-14,16-17H2,1H3,(H,27,35);6,8-10,12,17,27,30-31H,1-5,7,11,13-16H2;12-13,15-16,33H,2-11,14H2,1H3,(H,25,34)(H2,24,26,27);3,5-6,13-15,30H,4,7-12H2,1-2H3,(H,26,29);5-8,14-15,30H,3-4,9-13H2,1-2H3,(H,26,29).
What are the key properties of 7-[2-(2-aminopyrimidin-5-yl)-6-[4-(hydroxymethyl)piperidin-1-yl]purin-9-yl]-N-methylheptanamide;3-[7-[7-(hydroxyamino)oct-7-enyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenol;7-[2-[3-(hydroxymethyl)phenyl]-6-[4-(hydroxymethyl)piperidin-1-yl]purin-9-yl]-N-methylheptanamide;N-hydroxy-4-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]butanamide;N-hydroxy-4-[4-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]butanamide?
7-[2-(2-aminopyrimidin-5-yl)-6-[4-(hydroxymethyl)piperidin-1-yl]purin-9-yl]-N-methylheptanamide;3-[7-[7-(hydroxyamino)oct-7-enyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenol;7-[2-[3-(hydroxymethyl)phenyl]-6-[4-(hydroxymethyl)piperidin-1-yl]purin-9-yl]-N-methylheptanamide;N-hydroxy-4-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]butanamide;N-hydroxy-4-[4-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]butanamide has a molecular weight of 2266.74 g/mol, XLogP of 13.90, 47 rotatable bonds, 13 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2-aminopyrimidin-5-yl)-6-[4-(hydroxymethyl)piperidin-1-yl]purin-9-yl]-N-methylheptanamide;3-[7-[7-(hydroxyamino)oct-7-enyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenol;7-[2-[3-(hydroxymethyl)phenyl]-6-[4-(hydroxymethyl)piperidin-1-yl]purin-9-yl]-N-methylheptanamide;N-hydroxy-4-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]butanamide;N-hydroxy-4-[4-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]butanamide is sourced from PubChem (CID 159046111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).