7-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-1-hydroxyheptan-2-one;5-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-N-methylpentanamide;1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]propan-1-one;N-[8-[2-(3H-isoindol-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(2-methoxypyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine

C112H139N37O12 — CID 159646522

IUPAC7-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-1-hydroxyheptan-2-one;5-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-N-methylpentanamide;1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]propan-1-one;N-[8-[2-(3H-isoindol-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(2-methoxypyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine
SMILESC=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3ccc4c(c3)CN=C4)nc21)NO.C=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3cnc(OC)nc3)nc21)NO.CCC(=O)c1ccc(Cn2cnc3c(N4CCOCC4)nc(-c4ccc(N)nc4)nc32)cc1.CNC(=O)CCCCn1cnc2c(N3CCOCC3)nc(-c3ccc(N)nc3)nc21.Nc1ccc(-c2nc(N3CCOCC3)c3ncn(CCCCCC(=O)CO)c3n2)cn1
InChIInChI=1S/C25H31N7O2.C24H25N7O2.C22H30N8O3.C21H27N7O3.C20H26N8O2/c1-18(30-33)6-4-2-3-5-9-32-17-27-22-24(31-10-12-34-13-11-31)28-23(29-25(22)32)19-7-8-20-15-26-16-21(20)14-19;1-2-19(32)17-5-3-16(4-6-17)14-31-15-27-21-23(30-9-11-33-12-10-30)28-22(29-24(21)31)18-7-8-20(25)26-13-18;1-16(28-31)7-5-3-4-6-8-30-15-25-18-20(29-9-11-33-12-10-29)26-19(27-21(18)30)17-13-23-22(32-2)24-14-17;22-17-6-5-15(12-23-17)19-25-20(27-8-10-31-11-9-27)18-21(26-19)28(14-24-18)7-3-1-2-4-16(30)13-29;1-22-16(29)4-2-3-7-28-13-24-17-19(27-8-10-30-11-9-27)25-18(26-20(17)28)14-5-6-15(21)23-12-14/h7-8,14-15,17,30,33H,1-6,9-13,16H2;3-8,13,15H,2,9-12,14H2,1H3,(H2,25,26);13-15,28,31H,1,3-12H2,2H3;5-6,12,14,29H,1-4,7-11,13H2,(H2,22,23);5-6,12-13H,2-4,7-11H2,1H3,(H2,21,23)(H,22,29)
InChIKeyMRAJPHCOMASSQS-UHFFFAOYSA-N
MW2195.59 g/mol
LogP11.88
Rot. Bonds43

About 7-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-1-hydroxyheptan-2-one;5-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-N-methylpentanamide;1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]propan-1-one;N-[8-[2-(3H-isoindol-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(2-methoxypyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine

7-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-1-hydroxyheptan-2-one;5-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-N-methylpentanamide;1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]propan-1-one;N-[8-[2-(3H-isoindol-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(2-methoxypyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine (PubChem CID 159646522) has the molecular formula C112H139N37O12 and a molecular weight of 2195.59 g/mol. Its IUPAC name is 7-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-1-hydroxyheptan-2-one;5-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-N-methylpentanamide;1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]propan-1-one;N-[8-[2-(3H-isoindol-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(2-methoxypyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine.

Molecular Properties

Compound Name7-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-1-hydroxyheptan-2-one;5-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-N-methylpentanamide;1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]propan-1-one;N-[8-[2-(3H-isoindol-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(2-methoxypyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine
PubChem CID159646522
Molecular FormulaC112H139N37O12
Molecular Weight2195.59 g/mol
Exact Mass2194.14
IUPAC Name7-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-1-hydroxyheptan-2-one;5-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-N-methylpentanamide;1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]propan-1-one;N-[8-[2-(3H-isoindol-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(2-methoxypyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine
SMILESC=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3ccc4c(c3)CN=C4)nc21)NO.C=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3cnc(OC)nc3)nc21)NO.CCC(=O)c1ccc(Cn2cnc3c(N4CCOCC4)nc(-c4ccc(N)nc4)nc32)cc1.CNC(=O)CCCCn1cnc2c(N3CCOCC3)nc(-c3ccc(N)nc3)nc21.Nc1ccc(-c2nc(N3CCOCC3)c3ncn(CCCCCC(=O)CO)c3n2)cn1
InChIInChI=1S/C25H31N7O2.C24H25N7O2.C22H30N8O3.C21H27N7O3.C20H26N8O2/c1-18(30-33)6-4-2-3-5-9-32-17-27-22-24(31-10-12-34-13-11-31)28-23(29-25(22)32)19-7-8-20-15-26-16-21(20)14-19;1-2-19(32)17-5-3-16(4-6-17)14-31-15-27-21-23(30-9-11-33-12-10-30)28-22(29-24(21)31)18-7-8-20(25)26-13-18;1-16(28-31)7-5-3-4-6-8-30-15-25-18-20(29-9-11-33-12-10-29)26-19(27-21(18)30)17-13-23-22(32-2)24-14-17;22-17-6-5-15(12-23-17)19-25-20(27-8-10-31-11-9-27)18-21(26-19)28(14-24-18)7-3-1-2-4-16(30)13-29;1-22-16(29)4-2-3-7-28-13-24-17-19(27-8-10-30-11-9-27)25-18(26-20(17)28)14-5-6-15(21)23-12-14/h7-8,14-15,17,30,33H,1-6,9-13,16H2;3-8,13,15H,2,9-12,14H2,1H3,(H2,25,26);13-15,28,31H,1,3-12H2,2H3;5-6,12,14,29H,1-4,7-11,13H2,(H2,22,23);5-6,12-13H,2-4,7-11H2,1H3,(H2,21,23)(H,22,29)
InChIKeyMRAJPHCOMASSQS-UHFFFAOYSA-N
XLogP11.88
TPSA592.44 Ų
H-Bond Donors9
H-Bond Acceptors48
Rotatable Bonds43
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002195.59
LogP ≤ 511.88
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

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

Analyze 7-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-1-hydroxyheptan-2-one;5-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-N-methylpentanamide;1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]propan-1-one;N-[8-[2-(3H-isoindol-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(2-methoxypyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine with MolForge

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Launch Full Analysis

Related Compounds

N-(cyclopropylmethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-[1-(2-hydroxyacetyl)piperidin-4-yl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(1-methoxybutan-2-yl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 157332462
3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;2-[3-[2-[(dimethylamino)methyl]imidazol-1-yl]-5-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone
CID 159324572
1-(6-Amino-3-pyridinyl)-2-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]ethanone;2-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;1-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 161474345
2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide;bis(N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide)
CID 161656296
4-[2-[2-(4-cyclopentyl-3-oxobutyl)-5-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylbenzamide;N,N-dimethyl-4-[2-[5-methyl-2-[3-oxo-4-[(3S)-oxolan-3-yl]butyl]-3,4-dihydro-1H-isoquinolin-7-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;N-ethyl-N-methyl-4-[2-[5-methyl-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;N-[(2R)-2-hydroxy-3-methylbutyl]-N-methyl-4-[2-[5-methyl-2-(2-morpholin-4-ylethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;N-[(2R)-2-hydroxy-2-(oxan-4-yl)ethyl]-N-methyl-4-[2-[5-methyl-2-(2-morpholin-4-ylethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide
CID 167583356
4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]-N-(2-phenylethyl)benzamide;[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]phenyl]-morpholin-4-ylmethanone
CID 69850793
[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;2-benzylbenzamide;methyl (2S)-1-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]benzoyl]pyrrolidine-2-carboxylate
CID 88021433
4-[8-amino-3-[1-[4-[[1-[4-[[5-[8-amino-1-[4-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-(4-methoxybut-2-enoyl)pyrrolidin-3-yl]methoxy]but-2-enoyl]-5-[8-amino-1-[4-[(4-propan-2-yl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-3-yl]methyl-methylamino]but-2-enoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide
CID 123648468
5-[8-[4-(4-ethylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(4-morpholin-4-ylbutanoyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 123870534
7-[[6-[[(3R)-3-hydroxy-4-[4-[7-[[6-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl]-1-methylpyrrolo[2,3-b]pyridin-7-ium-7-yl]pyrrolidin-1-yl]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 156652042
4-[[4-[(3R,5S)-4-(2-fluoro-2-methylpropyl)-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[(3S,5R)-4-[(3-fluorophenyl)methyl]-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;N-hydroxy-4-[[4-[(3R,5S)-4-(2-hydroxy-2-methylpropyl)-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-[1-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-[1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide
CID 157075228
4-[8-[[4-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(2-methoxyethyl)-N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]benzamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]-N-pyrrolidin-3-ylbenzamide
CID 157083526

Frequently Asked Questions

What is the IUPAC name of 7-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-1-hydroxyheptan-2-one;5-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-N-methylpentanamide;1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]propan-1-one;N-[8-[2-(3H-isoindol-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(2-methoxypyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine?
The IUPAC name of 7-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-1-hydroxyheptan-2-one;5-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-N-methylpentanamide;1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]propan-1-one;N-[8-[2-(3H-isoindol-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(2-methoxypyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine (CID 159646522) is 7-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-1-hydroxyheptan-2-one;5-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-N-methylpentanamide;1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]propan-1-one;N-[8-[2-(3H-isoindol-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(2-methoxypyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine.
What is the SMILES notation for 7-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-1-hydroxyheptan-2-one;5-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-N-methylpentanamide;1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]propan-1-one;N-[8-[2-(3H-isoindol-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(2-methoxypyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine?
The canonical SMILES for 7-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-1-hydroxyheptan-2-one;5-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-N-methylpentanamide;1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]propan-1-one;N-[8-[2-(3H-isoindol-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(2-methoxypyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine is C=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3ccc4c(c3)CN=C4)nc21)NO.C=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3cnc(OC)nc3)nc21)NO.CCC(=O)c1ccc(Cn2cnc3c(N4CCOCC4)nc(-c4ccc(N)nc4)nc32)cc1.CNC(=O)CCCCn1cnc2c(N3CCOCC3)nc(-c3ccc(N)nc3)nc21.Nc1ccc(-c2nc(N3CCOCC3)c3ncn(CCCCCC(=O)CO)c3n2)cn1.
What is the InChIKey of 7-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-1-hydroxyheptan-2-one;5-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-N-methylpentanamide;1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]propan-1-one;N-[8-[2-(3H-isoindol-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(2-methoxypyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine?
The InChIKey is MRAJPHCOMASSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O2.C24H25N7O2.C22H30N8O3.C21H27N7O3.C20H26N8O2/c1-18(30-33)6-4-2-3-5-9-32-17-27-22-24(31-10-12-34-13-11-31)28-23(29-25(22)32)19-7-8-20-15-26-16-21(20)14-19;1-2-19(32)17-5-3-16(4-6-17)14-31-15-27-21-23(30-9-11-33-12-10-30)28-22(29-24(21)31)18-7-8-20(25)26-13-18;1-16(28-31)7-5-3-4-6-8-30-15-25-18-20(29-9-11-33-12-10-29)26-19(27-21(18)30)17-13-23-22(32-2)24-14-17;22-17-6-5-15(12-23-17)19-25-20(27-8-10-31-11-9-27)18-21(26-19)28(14-24-18)7-3-1-2-4-16(30)13-29;1-22-16(29)4-2-3-7-28-13-24-17-19(27-8-10-30-11-9-27)25-18(26-20(17)28)14-5-6-15(21)23-12-14/h7-8,14-15,17,30,33H,1-6,9-13,16H2;3-8,13,15H,2,9-12,14H2,1H3,(H2,25,26);13-15,28,31H,1,3-12H2,2H3;5-6,12,14,29H,1-4,7-11,13H2,(H2,22,23);5-6,12-13H,2-4,7-11H2,1H3,(H2,21,23)(H,22,29).
What are the key properties of 7-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-1-hydroxyheptan-2-one;5-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-N-methylpentanamide;1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]propan-1-one;N-[8-[2-(3H-isoindol-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(2-methoxypyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine?
7-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-1-hydroxyheptan-2-one;5-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-N-methylpentanamide;1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]propan-1-one;N-[8-[2-(3H-isoindol-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(2-methoxypyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine has a molecular weight of 2195.59 g/mol, XLogP of 11.88, 43 rotatable bonds, 9 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-1-hydroxyheptan-2-one;5-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-N-methylpentanamide;1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]propan-1-one;N-[8-[2-(3H-isoindol-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;N-[8-[2-(2-methoxypyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine is sourced from PubChem (CID 159646522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).