7-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-9-propan-2-ylpurin-8-yl]amino]-1-hydroxyheptan-2-one;(E)-3-[4-[4-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]butyl]phenyl]-N-methylprop-2-enamide;N-methyl-6-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]hexanamide;7-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptan-3-one;9-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]nonan-3-one

C129H170N32O15 — CID 158760118

IUPAC7-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-9-propan-2-ylpurin-8-yl]amino]-1-hydroxyheptan-2-one;(E)-3-[4-[4-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]butyl]phenyl]-N-methylprop-2-enamide;N-methyl-6-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]hexanamide;7-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptan-3-one;9-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]nonan-3-one
SMILESCC(C)n1c(NCCCCCC(=O)CO)nc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.CCC(=O)CCCCCCOc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3C(C)C)c1.CCC(=O)CCCCOc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3C(C)C)c1.CNC(=O)/C=C/c1ccc(CCCCn2cnc3c(N4CCOCC4)nc(-c4ccc(OC)nc4)nc32)cc1.CNC(=O)CCCCCOc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3C(C)C)c1
InChIInChI=1S/C29H33N7O3.C27H37N5O3.C25H34N6O3.C25H33N5O3.C23H33N9O3/c1-30-24(37)12-10-22-8-6-21(7-9-22)5-3-4-14-36-20-32-26-28(35-15-17-39-18-16-35)33-27(34-29(26)36)23-11-13-25(38-2)31-19-23;1-4-22(33)11-7-5-6-8-15-35-23-12-9-10-21(18-23)24-25-26(32(19-28-25)20(2)3)30-27(29-24)31-13-16-34-17-14-31;1-18(2)31-17-27-23-22(28-25(29-24(23)31)30-11-14-33-15-12-30)19-8-7-9-20(16-19)34-13-6-4-5-10-21(32)26-3;1-4-20(31)9-5-6-13-33-21-10-7-8-19(16-21)22-23-24(30(17-26-23)18(2)3)28-25(27-22)29-11-14-32-15-12-29;1-15(2)32-20-19(29-22(32)25-7-5-3-4-6-17(34)14-33)18(16-12-26-21(24)27-13-16)28-23(30-20)31-8-10-35-11-9-31/h6-13,19-20H,3-5,14-18H2,1-2H3,(H,30,37);9-10,12,18-20H,4-8,11,13-17H2,1-3H3;7-9,16-18H,4-6,10-15H2,1-3H3,(H,26,32);7-8,10,16-18H,4-6,9,11-15H2,1-3H3;12-13,15,33H,3-11,14H2,1-2H3,(H,25,29)(H2,24,26,27)/b12-10+;;;;
InChIKeyIOOFHOWJGPHSBX-UGSBBJTBSA-N
MW2408.99 g/mol
LogP18.59
Rot. Bonds53

About 7-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-9-propan-2-ylpurin-8-yl]amino]-1-hydroxyheptan-2-one;(E)-3-[4-[4-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]butyl]phenyl]-N-methylprop-2-enamide;N-methyl-6-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]hexanamide;7-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptan-3-one;9-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]nonan-3-one

7-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-9-propan-2-ylpurin-8-yl]amino]-1-hydroxyheptan-2-one;(E)-3-[4-[4-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]butyl]phenyl]-N-methylprop-2-enamide;N-methyl-6-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]hexanamide;7-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptan-3-one;9-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]nonan-3-one (PubChem CID 158760118) has the molecular formula C129H170N32O15 and a molecular weight of 2408.99 g/mol. Its IUPAC name is 7-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-9-propan-2-ylpurin-8-yl]amino]-1-hydroxyheptan-2-one;(E)-3-[4-[4-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]butyl]phenyl]-N-methylprop-2-enamide;N-methyl-6-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]hexanamide;7-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptan-3-one;9-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]nonan-3-one.

Molecular Properties

Compound Name7-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-9-propan-2-ylpurin-8-yl]amino]-1-hydroxyheptan-2-one;(E)-3-[4-[4-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]butyl]phenyl]-N-methylprop-2-enamide;N-methyl-6-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]hexanamide;7-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptan-3-one;9-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]nonan-3-one
PubChem CID158760118
Molecular FormulaC129H170N32O15
Molecular Weight2408.99 g/mol
Exact Mass2407.35
IUPAC Name7-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-9-propan-2-ylpurin-8-yl]amino]-1-hydroxyheptan-2-one;(E)-3-[4-[4-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]butyl]phenyl]-N-methylprop-2-enamide;N-methyl-6-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]hexanamide;7-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptan-3-one;9-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]nonan-3-one
SMILESCC(C)n1c(NCCCCCC(=O)CO)nc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.CCC(=O)CCCCCCOc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3C(C)C)c1.CCC(=O)CCCCOc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3C(C)C)c1.CNC(=O)/C=C/c1ccc(CCCCn2cnc3c(N4CCOCC4)nc(-c4ccc(OC)nc4)nc32)cc1.CNC(=O)CCCCCOc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3C(C)C)c1
InChIInChI=1S/C29H33N7O3.C27H37N5O3.C25H34N6O3.C25H33N5O3.C23H33N9O3/c1-30-24(37)12-10-22-8-6-21(7-9-22)5-3-4-14-36-20-32-26-28(35-15-17-39-18-16-35)33-27(34-29(26)36)23-11-13-25(38-2)31-19-23;1-4-22(33)11-7-5-6-8-15-35-23-12-9-10-21(18-23)24-25-26(32(19-28-25)20(2)3)30-27(29-24)31-13-16-34-17-14-31;1-18(2)31-17-27-23-22(28-25(29-24(23)31)30-11-14-33-15-12-30)19-8-7-9-20(16-19)34-13-6-4-5-10-21(32)26-3;1-4-20(31)9-5-6-13-33-21-10-7-8-19(16-21)22-23-24(30(17-26-23)18(2)3)28-25(27-22)29-11-14-32-15-12-29;1-15(2)32-20-19(29-22(32)25-7-5-3-4-6-17(34)14-33)18(16-12-26-21(24)27-13-16)28-23(30-20)31-8-10-35-11-9-31/h6-13,19-20H,3-5,14-18H2,1-2H3,(H,30,37);9-10,12,18-20H,4-8,11,13-17H2,1-3H3;7-9,16-18H,4-6,10-15H2,1-3H3,(H,26,32);7-8,10,16-18H,4-6,9,11-15H2,1-3H3;12-13,15,33H,3-11,14H2,1-2H3,(H,25,29)(H2,24,26,27)/b12-10+;;;;
InChIKeyIOOFHOWJGPHSBX-UGSBBJTBSA-N
XLogP18.59
TPSA523.63 Ų
H-Bond Donors5
H-Bond Acceptors45
Rotatable Bonds53
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002408.99
LogP ≤ 518.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 7-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-9-propan-2-ylpurin-8-yl]amino]-1-hydroxyheptan-2-one;(E)-3-[4-[4-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]butyl]phenyl]-N-methylprop-2-enamide;N-methyl-6-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]hexanamide;7-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptan-3-one;9-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]nonan-3-one with MolForge

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Related Compounds

4-[8-amino-3-[(8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-[8-amino-3-[(8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;1,2-dimethylcyclobutane
CID 145113953
2-[[6-[3-[4-(1,1-Difluoroethoxy)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;1-[(3,4-dimethoxyphenyl)methyl]-4-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrrolo[2,3-b]pyridine;7-[(3,4-dimethoxyphenyl)methyl]-4-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine;methyl 2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetate
CID 157507223
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
1-[(2S)-2-[8-amino-1-[4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[(5-methoxy-2-pyridinyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 157567699
1-[(2S)-2-[8-amino-1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-(6-phenylmethoxy-3-pyridinyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[[4-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 157643541
N-(1-hydroxy-2-methylpropan-2-yl)-1-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)indole-5-carboxamide;3-[6-[5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N-methylpropanamide;2-[5-methoxy-3-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)indol-1-yl]-1-morpholin-4-ylethanone;2-[5-methoxy-3-[4-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]indol-1-yl]-1-piperidin-1-ylethanone
CID 157855391
4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(4-methoxyoxan-4-yl)ethyl]pyrimidine;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine;5-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]-N,N-dimethyloxolane-2-carboxamide;1-[6-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]-2-methyl-3-pyridinyl]ethanol
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1-[(2S)-2-[8-amino-1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[[4-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 159337894
1-[(2S)-2-[8-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[(4-methoxyphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one
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1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-8-(hydroxymethyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-2-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[1-[4-[(3-fluorophenyl)methoxy]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;methane
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8-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-fluoropyrrolidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine
CID 160143057
1-Tert-butyl-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;2-[[9-ethyl-6-(3-fluoroanilino)purin-2-yl]amino]-2-methylpropan-1-ol;2-[[9-ethyl-6-[4-[2-(2-methoxyethylamino)ethoxy]anilino]purin-2-yl]amino]-2-methylpropan-1-ol;4-[[9-ethyl-6-[4-(trifluoromethyl)anilino]purin-2-yl]amino]cyclohexan-1-ol;7-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 160587840

Frequently Asked Questions

What is the IUPAC name of 7-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-9-propan-2-ylpurin-8-yl]amino]-1-hydroxyheptan-2-one;(E)-3-[4-[4-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]butyl]phenyl]-N-methylprop-2-enamide;N-methyl-6-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]hexanamide;7-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptan-3-one;9-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]nonan-3-one?
The IUPAC name of 7-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-9-propan-2-ylpurin-8-yl]amino]-1-hydroxyheptan-2-one;(E)-3-[4-[4-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]butyl]phenyl]-N-methylprop-2-enamide;N-methyl-6-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]hexanamide;7-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptan-3-one;9-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]nonan-3-one (CID 158760118) is 7-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-9-propan-2-ylpurin-8-yl]amino]-1-hydroxyheptan-2-one;(E)-3-[4-[4-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]butyl]phenyl]-N-methylprop-2-enamide;N-methyl-6-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]hexanamide;7-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptan-3-one;9-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]nonan-3-one.
What is the SMILES notation for 7-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-9-propan-2-ylpurin-8-yl]amino]-1-hydroxyheptan-2-one;(E)-3-[4-[4-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]butyl]phenyl]-N-methylprop-2-enamide;N-methyl-6-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]hexanamide;7-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptan-3-one;9-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]nonan-3-one?
The canonical SMILES for 7-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-9-propan-2-ylpurin-8-yl]amino]-1-hydroxyheptan-2-one;(E)-3-[4-[4-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]butyl]phenyl]-N-methylprop-2-enamide;N-methyl-6-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]hexanamide;7-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptan-3-one;9-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]nonan-3-one is CC(C)n1c(NCCCCCC(=O)CO)nc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.CCC(=O)CCCCCCOc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3C(C)C)c1.CCC(=O)CCCCOc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3C(C)C)c1.CNC(=O)/C=C/c1ccc(CCCCn2cnc3c(N4CCOCC4)nc(-c4ccc(OC)nc4)nc32)cc1.CNC(=O)CCCCCOc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3C(C)C)c1.
What is the InChIKey of 7-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-9-propan-2-ylpurin-8-yl]amino]-1-hydroxyheptan-2-one;(E)-3-[4-[4-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]butyl]phenyl]-N-methylprop-2-enamide;N-methyl-6-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]hexanamide;7-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptan-3-one;9-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]nonan-3-one?
The InChIKey is IOOFHOWJGPHSBX-UGSBBJTBSA-N. The full InChI is InChI=1S/C29H33N7O3.C27H37N5O3.C25H34N6O3.C25H33N5O3.C23H33N9O3/c1-30-24(37)12-10-22-8-6-21(7-9-22)5-3-4-14-36-20-32-26-28(35-15-17-39-18-16-35)33-27(34-29(26)36)23-11-13-25(38-2)31-19-23;1-4-22(33)11-7-5-6-8-15-35-23-12-9-10-21(18-23)24-25-26(32(19-28-25)20(2)3)30-27(29-24)31-13-16-34-17-14-31;1-18(2)31-17-27-23-22(28-25(29-24(23)31)30-11-14-33-15-12-30)19-8-7-9-20(16-19)34-13-6-4-5-10-21(32)26-3;1-4-20(31)9-5-6-13-33-21-10-7-8-19(16-21)22-23-24(30(17-26-23)18(2)3)28-25(27-22)29-11-14-32-15-12-29;1-15(2)32-20-19(29-22(32)25-7-5-3-4-6-17(34)14-33)18(16-12-26-21(24)27-13-16)28-23(30-20)31-8-10-35-11-9-31/h6-13,19-20H,3-5,14-18H2,1-2H3,(H,30,37);9-10,12,18-20H,4-8,11,13-17H2,1-3H3;7-9,16-18H,4-6,10-15H2,1-3H3,(H,26,32);7-8,10,16-18H,4-6,9,11-15H2,1-3H3;12-13,15,33H,3-11,14H2,1-2H3,(H,25,29)(H2,24,26,27)/b12-10+;;;;.
What are the key properties of 7-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-9-propan-2-ylpurin-8-yl]amino]-1-hydroxyheptan-2-one;(E)-3-[4-[4-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]butyl]phenyl]-N-methylprop-2-enamide;N-methyl-6-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]hexanamide;7-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptan-3-one;9-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]nonan-3-one?
7-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-9-propan-2-ylpurin-8-yl]amino]-1-hydroxyheptan-2-one;(E)-3-[4-[4-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]butyl]phenyl]-N-methylprop-2-enamide;N-methyl-6-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]hexanamide;7-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptan-3-one;9-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]nonan-3-one has a molecular weight of 2408.99 g/mol, XLogP of 18.59, 53 rotatable bonds, 5 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-9-propan-2-ylpurin-8-yl]amino]-1-hydroxyheptan-2-one;(E)-3-[4-[4-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]butyl]phenyl]-N-methylprop-2-enamide;N-methyl-6-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]hexanamide;7-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptan-3-one;9-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]nonan-3-one is sourced from PubChem (CID 158760118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).