9-cyclopentyl-6-propan-2-ylpurine;9-cyclopropyl-6-propan-2-ylpurine;6,9-di(propan-2-yl)purine;ethyl 4-morpholin-4-yl-6-propan-2-ylpyridine-3-carboxylate;5-fluoro-6-methyl-2-propan-2-ylpyridine-3-carbonitrile;7-fluoro-4-propan-2-ylquinazoline;9-(1-methoxybutan-2-yl)-6-propan-2-ylpurine;N-(2-methoxyethyl)-6-propan-2-ylpyridine-3-carboxamide;4-methyl-2-piperidin-1-yl-6-propan-2-ylpyrimidine;3-(9-methyl-6-propan-2-ylpurin-8-yl)phenol;morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone;4-(2-propan-2-ylpyridine-3-carbonyl)benzonitrile;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;2-[2-(2-propan-2-ylpyrimidin-4-yl)phenyl]ethanol

C181H235F2N39O12 — CID 160981200

IUPAC9-cyclopentyl-6-propan-2-ylpurine;9-cyclopropyl-6-propan-2-ylpurine;6,9-di(propan-2-yl)purine;ethyl 4-morpholin-4-yl-6-propan-2-ylpyridine-3-carboxylate;5-fluoro-6-methyl-2-propan-2-ylpyridine-3-carbonitrile;7-fluoro-4-propan-2-ylquinazoline;9-(1-methoxybutan-2-yl)-6-propan-2-ylpurine;N-(2-methoxyethyl)-6-propan-2-ylpyridine-3-carboxamide;4-methyl-2-piperidin-1-yl-6-propan-2-ylpyrimidine;3-(9-methyl-6-propan-2-ylpurin-8-yl)phenol;morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone;4-(2-propan-2-ylpyridine-3-carbonyl)benzonitrile;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;2-[2-(2-propan-2-ylpyrimidin-4-yl)phenyl]ethanol
SMILESCC(C)c1ccc(C(=O)N2CCCC2)cn1.CC(C)c1ccc(C(=O)N2CCOCC2)cn1.CC(C)c1nccc(-c2ccccc2CCO)n1.CC(C)c1ncccc1C(=O)c1ccc(C#N)cc1.CC(C)c1ncnc2c1nc(-c1cccc(O)c1)n2C.CC(C)c1ncnc2c1ncn2C(C)C.CC(C)c1ncnc2c1ncn2C1CC1.CC(C)c1ncnc2c1ncn2C1CCCC1.CC(C)c1ncnc2cc(F)ccc12.CCC(COC)n1cnc2c(C(C)C)ncnc21.CCOC(=O)c1cnc(C(C)C)cc1N1CCOCC1.COCCNC(=O)c1ccc(C(C)C)nc1.Cc1cc(C(C)C)nc(N2CCCCC2)n1.Cc1nc(C(C)C)c(C#N)cc1F
InChIInChI=1S/C16H14N2O.C15H16N4O.C15H22N2O3.C15H18N2O.C13H20N4O.C13H18N4.C13H21N3.C13H18N2O2.C13H18N2O.C12H18N2O2.C11H11FN2.C11H14N4.C11H16N4.C10H11FN2/c1-11(2)15-14(4-3-9-18-15)16(19)13-7-5-12(10-17)6-8-13;1-9(2)12-13-15(17-8-16-12)19(3)14(18-13)10-5-4-6-11(20)7-10;1-4-20-15(18)12-10-16-13(11(2)3)9-14(12)17-5-7-19-8-6-17;1-11(2)15-16-9-7-14(17-15)13-6-4-3-5-12(13)8-10-18;1-5-10(6-18-4)17-8-16-12-11(9(2)3)14-7-15-13(12)17;1-9(2)11-12-13(15-7-14-11)17(8-16-12)10-5-3-4-6-10;1-10(2)12-9-11(3)14-13(15-12)16-7-5-4-6-8-16;1-10(2)12-4-3-11(9-14-12)13(16)15-5-7-17-8-6-15;1-10(2)12-6-5-11(9-14-12)13(16)15-7-3-4-8-15;1-9(2)11-5-4-10(8-14-11)12(15)13-6-7-16-3;1-7(2)11-9-4-3-8(12)5-10(9)13-6-14-11;1-7(2)9-10-11(13-5-12-9)15(6-14-10)8-3-4-8;1-7(2)9-10-11(13-5-12-9)15(6-14-10)8(3)4;1-6(2)10-8(5-12)4-9(11)7(3)13-10/h3-9,11H,1-2H3;4-9,20H,1-3H3;9-11H,4-8H2,1-3H3;3-7,9,11,18H,8,10H2,1-2H3;7-10H,5-6H2,1-4H3;7-10H,3-6H2,1-2H3;9-10H,4-8H2,1-3H3;3-4,9-10H,5-8H2,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;4-5,8-9H,6-7H2,1-3H3,(H,13,15);3-7H,1-2H3;5-8H,3-4H2,1-2H3;5-8H,1-4H3;4,6H,1-3H3
InChIKeySZNPMGLCQGPYPK-UHFFFAOYSA-N
MW3187.13 g/mol
LogP35.63
Rot. Bonds37

About 9-cyclopentyl-6-propan-2-ylpurine;9-cyclopropyl-6-propan-2-ylpurine;6,9-di(propan-2-yl)purine;ethyl 4-morpholin-4-yl-6-propan-2-ylpyridine-3-carboxylate;5-fluoro-6-methyl-2-propan-2-ylpyridine-3-carbonitrile;7-fluoro-4-propan-2-ylquinazoline;9-(1-methoxybutan-2-yl)-6-propan-2-ylpurine;N-(2-methoxyethyl)-6-propan-2-ylpyridine-3-carboxamide;4-methyl-2-piperidin-1-yl-6-propan-2-ylpyrimidine;3-(9-methyl-6-propan-2-ylpurin-8-yl)phenol;morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone;4-(2-propan-2-ylpyridine-3-carbonyl)benzonitrile;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;2-[2-(2-propan-2-ylpyrimidin-4-yl)phenyl]ethanol

9-cyclopentyl-6-propan-2-ylpurine;9-cyclopropyl-6-propan-2-ylpurine;6,9-di(propan-2-yl)purine;ethyl 4-morpholin-4-yl-6-propan-2-ylpyridine-3-carboxylate;5-fluoro-6-methyl-2-propan-2-ylpyridine-3-carbonitrile;7-fluoro-4-propan-2-ylquinazoline;9-(1-methoxybutan-2-yl)-6-propan-2-ylpurine;N-(2-methoxyethyl)-6-propan-2-ylpyridine-3-carboxamide;4-methyl-2-piperidin-1-yl-6-propan-2-ylpyrimidine;3-(9-methyl-6-propan-2-ylpurin-8-yl)phenol;morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone;4-(2-propan-2-ylpyridine-3-carbonyl)benzonitrile;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;2-[2-(2-propan-2-ylpyrimidin-4-yl)phenyl]ethanol (PubChem CID 160981200) has the molecular formula C181H235F2N39O12 and a molecular weight of 3187.13 g/mol. Its IUPAC name is 9-cyclopentyl-6-propan-2-ylpurine;9-cyclopropyl-6-propan-2-ylpurine;6,9-di(propan-2-yl)purine;ethyl 4-morpholin-4-yl-6-propan-2-ylpyridine-3-carboxylate;5-fluoro-6-methyl-2-propan-2-ylpyridine-3-carbonitrile;7-fluoro-4-propan-2-ylquinazoline;9-(1-methoxybutan-2-yl)-6-propan-2-ylpurine;N-(2-methoxyethyl)-6-propan-2-ylpyridine-3-carboxamide;4-methyl-2-piperidin-1-yl-6-propan-2-ylpyrimidine;3-(9-methyl-6-propan-2-ylpurin-8-yl)phenol;morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone;4-(2-propan-2-ylpyridine-3-carbonyl)benzonitrile;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;2-[2-(2-propan-2-ylpyrimidin-4-yl)phenyl]ethanol.

Molecular Properties

Compound Name9-cyclopentyl-6-propan-2-ylpurine;9-cyclopropyl-6-propan-2-ylpurine;6,9-di(propan-2-yl)purine;ethyl 4-morpholin-4-yl-6-propan-2-ylpyridine-3-carboxylate;5-fluoro-6-methyl-2-propan-2-ylpyridine-3-carbonitrile;7-fluoro-4-propan-2-ylquinazoline;9-(1-methoxybutan-2-yl)-6-propan-2-ylpurine;N-(2-methoxyethyl)-6-propan-2-ylpyridine-3-carboxamide;4-methyl-2-piperidin-1-yl-6-propan-2-ylpyrimidine;3-(9-methyl-6-propan-2-ylpurin-8-yl)phenol;morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone;4-(2-propan-2-ylpyridine-3-carbonyl)benzonitrile;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;2-[2-(2-propan-2-ylpyrimidin-4-yl)phenyl]ethanol
PubChem CID160981200
Molecular FormulaC181H235F2N39O12
Molecular Weight3187.13 g/mol
Exact Mass3184.89
IUPAC Name9-cyclopentyl-6-propan-2-ylpurine;9-cyclopropyl-6-propan-2-ylpurine;6,9-di(propan-2-yl)purine;ethyl 4-morpholin-4-yl-6-propan-2-ylpyridine-3-carboxylate;5-fluoro-6-methyl-2-propan-2-ylpyridine-3-carbonitrile;7-fluoro-4-propan-2-ylquinazoline;9-(1-methoxybutan-2-yl)-6-propan-2-ylpurine;N-(2-methoxyethyl)-6-propan-2-ylpyridine-3-carboxamide;4-methyl-2-piperidin-1-yl-6-propan-2-ylpyrimidine;3-(9-methyl-6-propan-2-ylpurin-8-yl)phenol;morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone;4-(2-propan-2-ylpyridine-3-carbonyl)benzonitrile;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;2-[2-(2-propan-2-ylpyrimidin-4-yl)phenyl]ethanol
SMILESCC(C)c1ccc(C(=O)N2CCCC2)cn1.CC(C)c1ccc(C(=O)N2CCOCC2)cn1.CC(C)c1nccc(-c2ccccc2CCO)n1.CC(C)c1ncccc1C(=O)c1ccc(C#N)cc1.CC(C)c1ncnc2c1nc(-c1cccc(O)c1)n2C.CC(C)c1ncnc2c1ncn2C(C)C.CC(C)c1ncnc2c1ncn2C1CC1.CC(C)c1ncnc2c1ncn2C1CCCC1.CC(C)c1ncnc2cc(F)ccc12.CCC(COC)n1cnc2c(C(C)C)ncnc21.CCOC(=O)c1cnc(C(C)C)cc1N1CCOCC1.COCCNC(=O)c1ccc(C(C)C)nc1.Cc1cc(C(C)C)nc(N2CCCCC2)n1.Cc1nc(C(C)C)c(C#N)cc1F
InChIInChI=1S/C16H14N2O.C15H16N4O.C15H22N2O3.C15H18N2O.C13H20N4O.C13H18N4.C13H21N3.C13H18N2O2.C13H18N2O.C12H18N2O2.C11H11FN2.C11H14N4.C11H16N4.C10H11FN2/c1-11(2)15-14(4-3-9-18-15)16(19)13-7-5-12(10-17)6-8-13;1-9(2)12-13-15(17-8-16-12)19(3)14(18-13)10-5-4-6-11(20)7-10;1-4-20-15(18)12-10-16-13(11(2)3)9-14(12)17-5-7-19-8-6-17;1-11(2)15-16-9-7-14(17-15)13-6-4-3-5-12(13)8-10-18;1-5-10(6-18-4)17-8-16-12-11(9(2)3)14-7-15-13(12)17;1-9(2)11-12-13(15-7-14-11)17(8-16-12)10-5-3-4-6-10;1-10(2)12-9-11(3)14-13(15-12)16-7-5-4-6-8-16;1-10(2)12-4-3-11(9-14-12)13(16)15-5-7-17-8-6-15;1-10(2)12-6-5-11(9-14-12)13(16)15-7-3-4-8-15;1-9(2)11-5-4-10(8-14-11)12(15)13-6-7-16-3;1-7(2)11-9-4-3-8(12)5-10(9)13-6-14-11;1-7(2)9-10-11(13-5-12-9)15(6-14-10)8-3-4-8;1-7(2)9-10-11(13-5-12-9)15(6-14-10)8(3)4;1-6(2)10-8(5-12)4-9(11)7(3)13-10/h3-9,11H,1-2H3;4-9,20H,1-3H3;9-11H,4-8H2,1-3H3;3-7,9,11,18H,8,10H2,1-2H3;7-10H,5-6H2,1-4H3;7-10H,3-6H2,1-2H3;9-10H,4-8H2,1-3H3;3-4,9-10H,5-8H2,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;4-5,8-9H,6-7H2,1-3H3,(H,13,15);3-7H,1-2H3;5-8H,3-4H2,1-2H3;5-8H,1-4H3;4,6H,1-3H3
InChIKeySZNPMGLCQGPYPK-UHFFFAOYSA-N
XLogP35.63
TPSA617.21 Ų
H-Bond Donors3
H-Bond Acceptors48
Rotatable Bonds37
Heavy Atoms234
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003187.13
LogP ≤ 535.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

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

Analyze 9-cyclopentyl-6-propan-2-ylpurine;9-cyclopropyl-6-propan-2-ylpurine;6,9-di(propan-2-yl)purine;ethyl 4-morpholin-4-yl-6-propan-2-ylpyridine-3-carboxylate;5-fluoro-6-methyl-2-propan-2-ylpyridine-3-carbonitrile;7-fluoro-4-propan-2-ylquinazoline;9-(1-methoxybutan-2-yl)-6-propan-2-ylpurine;N-(2-methoxyethyl)-6-propan-2-ylpyridine-3-carboxamide;4-methyl-2-piperidin-1-yl-6-propan-2-ylpyrimidine;3-(9-methyl-6-propan-2-ylpurin-8-yl)phenol;morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone;4-(2-propan-2-ylpyridine-3-carbonyl)benzonitrile;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;2-[2-(2-propan-2-ylpyrimidin-4-yl)phenyl]ethanol with MolForge

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Related Compounds

6-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(oxetan-3-yl)amino]-1-(4-tert-butylphenyl)hexan-2-one;1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(2-hydroxyethyl)amino]propyl]-3-(4-tert-butylphenyl)urea;1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propyl]-3-(4-tert-butylphenyl)urea;butyl 4-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propylcarbamoylamino]benzoate;6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-[(1S,2R)-2-phenylcyclopropyl]hexan-2-one;6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)hexan-2-one
CID 159927638
9-cyclopentyl-6-propan-2-ylpurine;9-cyclopropyl-6-propan-2-ylpurine;7,8-dimethoxy-4-propan-2-ylquinazoline;6,9-di(propan-2-yl)purine;ethyl 4-morpholin-4-yl-6-propan-2-ylpyridine-3-carboxylate;5-fluoro-6-methyl-2-propan-2-ylpyridine-3-carbonitrile;7-fluoro-4-propan-2-ylquinazoline;N-(2-methoxyethyl)-6-propan-2-ylpyridine-3-carboxamide;4-methyl-2-piperidin-1-yl-6-propan-2-ylpyrimidine;morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone;4-(2-propan-2-ylpyridine-3-carbonyl)benzonitrile;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;2-[2-(2-propan-2-ylpyrimidin-4-yl)phenyl]ethanol;6,7,8-trimethoxy-4-propan-2-ylquinazoline
CID 157198342
6-[(3S)-3-aminopiperidin-1-yl]-5-benzyl-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;bis(6-[(3S)-3-aminopiperidin-1-yl]-5-benzyl-4-oxo-3-(quinolin-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile);6-[(3R)-3-aminopiperidin-1-yl]-5-[(4-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3S)-3-aminopiperidin-1-yl]-5-[(4-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 157424336
2-[3-acetyl-5-(5-methylpyrimidin-2-yl)oxyindol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-5-(5-methylpyrimidin-2-yl)oxyindol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-4-methylpyrrolidine-2-carboxamide;2-bromo-5-methylpyrimidine;(2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-(3-acetyl-5-hydroxyindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(5-methylpyrimidin-2-yl)oxyindol-1-yl]acetate;hydrochloride
CID 157637388
2-amino-N-[(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide;N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-4-fluorobenzamide;N-[(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-methoxybenzamide;N-[(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]pyridine-3-carboxamide
CID 158027990
2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-5-fluoropyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyridine-3-carboxamide;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyridine-3-carboxylic acid;3-[(1S)-1-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyrimidin-4-yl]amino]ethyl]phenol
CID 158186906
4-[(2S,4R)-1-acetyl-2-methyl-4-(2-methylpropanoylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;4-[(2S,4R)-1-acetyl-2-methyl-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3-[1-(1-methylpyrrol-3-yl)ethyl]-1-propan-2-ylimidazo[4,5-c]quinolin-2-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-propan-2-yl-3-propylimidazo[4,5-c]quinolin-2-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-propan-2-yl-3H-pyrrolo[3,2-c]quinolin-2-one;4-[8-methoxy-2-(oxan-4-yl)-1-propan-2-ylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 159424130
bis(6-[(3S)-3-aminopiperidin-1-yl]-5-benzyl-4-oxo-3-(quinolin-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile);6-[(3S)-3-aminopiperidin-1-yl]-5-[(3,4-difluorophenyl)methyl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-5-[(4-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3S)-3-aminopiperidin-1-yl]-5-[(4-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 159638157
2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide;2-bromo-5-fluoropyrimidine;(2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-[3-acetyl-5-(5-fluoropyrimidin-2-yl)oxyindol-1-yl]acetate;tert-butyl 2-(3-acetyl-5-hydroxyindol-1-yl)acetate;hydrochloride
CID 159816806
6-[(3S)-3-aminopiperidin-1-yl]-3-(isoquinolin-1-ylmethyl)-1-methyl-5-(3-methylbut-2-enyl)-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3S)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1-methyl-5-(3-methylbut-2-enyl)-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3S)-3-aminopiperidin-1-yl]-1-methyl-5-(3-methylbut-2-enyl)-3-[(4-methylquinazolin-2-yl)methyl]-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-(1,4-diazepan-1-yl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1-methyl-5-(3-methylbut-2-enyl)-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;3-[2-(3-methoxyphenyl)-2-oxoethyl]-1-methyl-5-(3-methylbut-2-enyl)-2,4-dioxo-6-piperazin-1-ylpyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 160097205
4-[[6-[4-[[6-Acetyl-1-(oxan-3-yl)benzimidazol-2-yl]methyl]-2,5-difluorophenyl]-2-pyridinyl]oxymethyl]-3-fluorobenzonitrile;4-[[6-[4-[[6-acetyl-1-(oxan-4-ylmethyl)benzimidazol-2-yl]methyl]-2,5-difluorophenyl]-2-pyridinyl]oxymethyl]-3-fluorobenzonitrile;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-5-fluoro-2-oxo-1-pyridinyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(hydroxymethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[5-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]pyrazin-2-yl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
CID 160187168
3,5-Dimethyl-4-[8-[oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]-1,2-oxazole;3,5-dimethyl-4-[8-[oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]-1,2-oxazole;2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl]propan-2-ol;ethyl 5-(3,5-dimethyl-1,2-oxazol-4-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-11-carboxylate;methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-9-fluoro-5-[oxan-4-yl(phenyl)methyl]pyrido[3,2-b]indole-3-carboxylate
CID 160253331

Frequently Asked Questions

What is the IUPAC name of 9-cyclopentyl-6-propan-2-ylpurine;9-cyclopropyl-6-propan-2-ylpurine;6,9-di(propan-2-yl)purine;ethyl 4-morpholin-4-yl-6-propan-2-ylpyridine-3-carboxylate;5-fluoro-6-methyl-2-propan-2-ylpyridine-3-carbonitrile;7-fluoro-4-propan-2-ylquinazoline;9-(1-methoxybutan-2-yl)-6-propan-2-ylpurine;N-(2-methoxyethyl)-6-propan-2-ylpyridine-3-carboxamide;4-methyl-2-piperidin-1-yl-6-propan-2-ylpyrimidine;3-(9-methyl-6-propan-2-ylpurin-8-yl)phenol;morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone;4-(2-propan-2-ylpyridine-3-carbonyl)benzonitrile;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;2-[2-(2-propan-2-ylpyrimidin-4-yl)phenyl]ethanol?
The IUPAC name of 9-cyclopentyl-6-propan-2-ylpurine;9-cyclopropyl-6-propan-2-ylpurine;6,9-di(propan-2-yl)purine;ethyl 4-morpholin-4-yl-6-propan-2-ylpyridine-3-carboxylate;5-fluoro-6-methyl-2-propan-2-ylpyridine-3-carbonitrile;7-fluoro-4-propan-2-ylquinazoline;9-(1-methoxybutan-2-yl)-6-propan-2-ylpurine;N-(2-methoxyethyl)-6-propan-2-ylpyridine-3-carboxamide;4-methyl-2-piperidin-1-yl-6-propan-2-ylpyrimidine;3-(9-methyl-6-propan-2-ylpurin-8-yl)phenol;morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone;4-(2-propan-2-ylpyridine-3-carbonyl)benzonitrile;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;2-[2-(2-propan-2-ylpyrimidin-4-yl)phenyl]ethanol (CID 160981200) is 9-cyclopentyl-6-propan-2-ylpurine;9-cyclopropyl-6-propan-2-ylpurine;6,9-di(propan-2-yl)purine;ethyl 4-morpholin-4-yl-6-propan-2-ylpyridine-3-carboxylate;5-fluoro-6-methyl-2-propan-2-ylpyridine-3-carbonitrile;7-fluoro-4-propan-2-ylquinazoline;9-(1-methoxybutan-2-yl)-6-propan-2-ylpurine;N-(2-methoxyethyl)-6-propan-2-ylpyridine-3-carboxamide;4-methyl-2-piperidin-1-yl-6-propan-2-ylpyrimidine;3-(9-methyl-6-propan-2-ylpurin-8-yl)phenol;morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone;4-(2-propan-2-ylpyridine-3-carbonyl)benzonitrile;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;2-[2-(2-propan-2-ylpyrimidin-4-yl)phenyl]ethanol.
What is the SMILES notation for 9-cyclopentyl-6-propan-2-ylpurine;9-cyclopropyl-6-propan-2-ylpurine;6,9-di(propan-2-yl)purine;ethyl 4-morpholin-4-yl-6-propan-2-ylpyridine-3-carboxylate;5-fluoro-6-methyl-2-propan-2-ylpyridine-3-carbonitrile;7-fluoro-4-propan-2-ylquinazoline;9-(1-methoxybutan-2-yl)-6-propan-2-ylpurine;N-(2-methoxyethyl)-6-propan-2-ylpyridine-3-carboxamide;4-methyl-2-piperidin-1-yl-6-propan-2-ylpyrimidine;3-(9-methyl-6-propan-2-ylpurin-8-yl)phenol;morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone;4-(2-propan-2-ylpyridine-3-carbonyl)benzonitrile;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;2-[2-(2-propan-2-ylpyrimidin-4-yl)phenyl]ethanol?
The canonical SMILES for 9-cyclopentyl-6-propan-2-ylpurine;9-cyclopropyl-6-propan-2-ylpurine;6,9-di(propan-2-yl)purine;ethyl 4-morpholin-4-yl-6-propan-2-ylpyridine-3-carboxylate;5-fluoro-6-methyl-2-propan-2-ylpyridine-3-carbonitrile;7-fluoro-4-propan-2-ylquinazoline;9-(1-methoxybutan-2-yl)-6-propan-2-ylpurine;N-(2-methoxyethyl)-6-propan-2-ylpyridine-3-carboxamide;4-methyl-2-piperidin-1-yl-6-propan-2-ylpyrimidine;3-(9-methyl-6-propan-2-ylpurin-8-yl)phenol;morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone;4-(2-propan-2-ylpyridine-3-carbonyl)benzonitrile;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;2-[2-(2-propan-2-ylpyrimidin-4-yl)phenyl]ethanol is CC(C)c1ccc(C(=O)N2CCCC2)cn1.CC(C)c1ccc(C(=O)N2CCOCC2)cn1.CC(C)c1nccc(-c2ccccc2CCO)n1.CC(C)c1ncccc1C(=O)c1ccc(C#N)cc1.CC(C)c1ncnc2c1nc(-c1cccc(O)c1)n2C.CC(C)c1ncnc2c1ncn2C(C)C.CC(C)c1ncnc2c1ncn2C1CC1.CC(C)c1ncnc2c1ncn2C1CCCC1.CC(C)c1ncnc2cc(F)ccc12.CCC(COC)n1cnc2c(C(C)C)ncnc21.CCOC(=O)c1cnc(C(C)C)cc1N1CCOCC1.COCCNC(=O)c1ccc(C(C)C)nc1.Cc1cc(C(C)C)nc(N2CCCCC2)n1.Cc1nc(C(C)C)c(C#N)cc1F.
What is the InChIKey of 9-cyclopentyl-6-propan-2-ylpurine;9-cyclopropyl-6-propan-2-ylpurine;6,9-di(propan-2-yl)purine;ethyl 4-morpholin-4-yl-6-propan-2-ylpyridine-3-carboxylate;5-fluoro-6-methyl-2-propan-2-ylpyridine-3-carbonitrile;7-fluoro-4-propan-2-ylquinazoline;9-(1-methoxybutan-2-yl)-6-propan-2-ylpurine;N-(2-methoxyethyl)-6-propan-2-ylpyridine-3-carboxamide;4-methyl-2-piperidin-1-yl-6-propan-2-ylpyrimidine;3-(9-methyl-6-propan-2-ylpurin-8-yl)phenol;morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone;4-(2-propan-2-ylpyridine-3-carbonyl)benzonitrile;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;2-[2-(2-propan-2-ylpyrimidin-4-yl)phenyl]ethanol?
The InChIKey is SZNPMGLCQGPYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O.C15H16N4O.C15H22N2O3.C15H18N2O.C13H20N4O.C13H18N4.C13H21N3.C13H18N2O2.C13H18N2O.C12H18N2O2.C11H11FN2.C11H14N4.C11H16N4.C10H11FN2/c1-11(2)15-14(4-3-9-18-15)16(19)13-7-5-12(10-17)6-8-13;1-9(2)12-13-15(17-8-16-12)19(3)14(18-13)10-5-4-6-11(20)7-10;1-4-20-15(18)12-10-16-13(11(2)3)9-14(12)17-5-7-19-8-6-17;1-11(2)15-16-9-7-14(17-15)13-6-4-3-5-12(13)8-10-18;1-5-10(6-18-4)17-8-16-12-11(9(2)3)14-7-15-13(12)17;1-9(2)11-12-13(15-7-14-11)17(8-16-12)10-5-3-4-6-10;1-10(2)12-9-11(3)14-13(15-12)16-7-5-4-6-8-16;1-10(2)12-4-3-11(9-14-12)13(16)15-5-7-17-8-6-15;1-10(2)12-6-5-11(9-14-12)13(16)15-7-3-4-8-15;1-9(2)11-5-4-10(8-14-11)12(15)13-6-7-16-3;1-7(2)11-9-4-3-8(12)5-10(9)13-6-14-11;1-7(2)9-10-11(13-5-12-9)15(6-14-10)8-3-4-8;1-7(2)9-10-11(13-5-12-9)15(6-14-10)8(3)4;1-6(2)10-8(5-12)4-9(11)7(3)13-10/h3-9,11H,1-2H3;4-9,20H,1-3H3;9-11H,4-8H2,1-3H3;3-7,9,11,18H,8,10H2,1-2H3;7-10H,5-6H2,1-4H3;7-10H,3-6H2,1-2H3;9-10H,4-8H2,1-3H3;3-4,9-10H,5-8H2,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;4-5,8-9H,6-7H2,1-3H3,(H,13,15);3-7H,1-2H3;5-8H,3-4H2,1-2H3;5-8H,1-4H3;4,6H,1-3H3.
What are the key properties of 9-cyclopentyl-6-propan-2-ylpurine;9-cyclopropyl-6-propan-2-ylpurine;6,9-di(propan-2-yl)purine;ethyl 4-morpholin-4-yl-6-propan-2-ylpyridine-3-carboxylate;5-fluoro-6-methyl-2-propan-2-ylpyridine-3-carbonitrile;7-fluoro-4-propan-2-ylquinazoline;9-(1-methoxybutan-2-yl)-6-propan-2-ylpurine;N-(2-methoxyethyl)-6-propan-2-ylpyridine-3-carboxamide;4-methyl-2-piperidin-1-yl-6-propan-2-ylpyrimidine;3-(9-methyl-6-propan-2-ylpurin-8-yl)phenol;morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone;4-(2-propan-2-ylpyridine-3-carbonyl)benzonitrile;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;2-[2-(2-propan-2-ylpyrimidin-4-yl)phenyl]ethanol?
9-cyclopentyl-6-propan-2-ylpurine;9-cyclopropyl-6-propan-2-ylpurine;6,9-di(propan-2-yl)purine;ethyl 4-morpholin-4-yl-6-propan-2-ylpyridine-3-carboxylate;5-fluoro-6-methyl-2-propan-2-ylpyridine-3-carbonitrile;7-fluoro-4-propan-2-ylquinazoline;9-(1-methoxybutan-2-yl)-6-propan-2-ylpurine;N-(2-methoxyethyl)-6-propan-2-ylpyridine-3-carboxamide;4-methyl-2-piperidin-1-yl-6-propan-2-ylpyrimidine;3-(9-methyl-6-propan-2-ylpurin-8-yl)phenol;morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone;4-(2-propan-2-ylpyridine-3-carbonyl)benzonitrile;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;2-[2-(2-propan-2-ylpyrimidin-4-yl)phenyl]ethanol has a molecular weight of 3187.13 g/mol, XLogP of 35.63, 37 rotatable bonds, 3 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopentyl-6-propan-2-ylpurine;9-cyclopropyl-6-propan-2-ylpurine;6,9-di(propan-2-yl)purine;ethyl 4-morpholin-4-yl-6-propan-2-ylpyridine-3-carboxylate;5-fluoro-6-methyl-2-propan-2-ylpyridine-3-carbonitrile;7-fluoro-4-propan-2-ylquinazoline;9-(1-methoxybutan-2-yl)-6-propan-2-ylpurine;N-(2-methoxyethyl)-6-propan-2-ylpyridine-3-carboxamide;4-methyl-2-piperidin-1-yl-6-propan-2-ylpyrimidine;3-(9-methyl-6-propan-2-ylpurin-8-yl)phenol;morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone;4-(2-propan-2-ylpyridine-3-carbonyl)benzonitrile;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;2-[2-(2-propan-2-ylpyrimidin-4-yl)phenyl]ethanol is sourced from PubChem (CID 160981200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).