6-amino-9-[[6-[4-[2-(2-bicyclo[1.1.1]pentanyl)ethyl]phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-(2-cyclopentylethyl)phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-[2-(3,3-difluorocyclobutyl)ethyl]phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-(4-hydroxybutyl)phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[6-(4-pentylphenoxy)-3-pyridinyl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[6-[4-(3-phenylpropyl)phenoxy]-3-pyridinyl]methyl]-7H-purin-8-one

C146H154F2N36O13 — CID 159075026

IUPAC6-amino-9-[[6-[4-[2-(2-bicyclo[1.1.1]pentanyl)ethyl]phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-(2-cyclopentylethyl)phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-[2-(3,3-difluorocyclobutyl)ethyl]phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-(4-hydroxybutyl)phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[6-(4-pentylphenoxy)-3-pyridinyl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[6-[4-(3-phenylpropyl)phenoxy]-3-pyridinyl]methyl]-7H-purin-8-one
SMILESCCCCCc1ccc(Oc2ccc(Cn3c(=O)[nH]c4c(N)nc(C)nc43)cn2)cc1.Cc1nc(N)c2[nH]c(=O)n(Cc3ccc(Oc4ccc(CCC5C6CC5C6)cc4)nc3)c2n1.Cc1nc(N)c2[nH]c(=O)n(Cc3ccc(Oc4ccc(CCC5CC(F)(F)C5)cc4)nc3)c2n1.Cc1nc(N)c2[nH]c(=O)n(Cc3ccc(Oc4ccc(CCC5CCCC5)cc4)nc3)c2n1.Cc1nc(N)c2[nH]c(=O)n(Cc3ccc(Oc4ccc(CCCCO)cc4)nc3)c2n1.Cc1nc(N)c2[nH]c(=O)n(Cc3ccc(Oc4ccc(CCCc5ccccc5)cc4)nc3)c2n1
InChIInChI=1S/C27H26N6O2.C25H26N6O2.C25H28N6O2.C24H24F2N6O2.C23H26N6O2.C22H24N6O3/c1-18-30-25(28)24-26(31-18)33(27(34)32-24)17-21-12-15-23(29-16-21)35-22-13-10-20(11-14-22)9-5-8-19-6-3-2-4-7-19;1-14-28-23(26)22-24(29-14)31(25(32)30-22)13-16-5-9-21(27-12-16)33-19-6-2-15(3-7-19)4-8-20-17-10-18(20)11-17;1-16-28-23(26)22-24(29-16)31(25(32)30-22)15-19-10-13-21(27-14-19)33-20-11-8-18(9-12-20)7-6-17-4-2-3-5-17;1-14-29-21(27)20-22(30-14)32(23(33)31-20)13-17-6-9-19(28-12-17)34-18-7-4-15(5-8-18)2-3-16-10-24(25,26)11-16;1-3-4-5-6-16-7-10-18(11-8-16)31-19-12-9-17(13-25-19)14-29-22-20(28-23(29)30)21(24)26-15(2)27-22;1-14-25-20(23)19-21(26-14)28(22(30)27-19)13-16-7-10-18(24-12-16)31-17-8-5-15(6-9-17)4-2-3-11-29/h2-4,6-7,10-16H,5,8-9,17H2,1H3,(H,32,34)(H2,28,30,31);2-3,5-7,9,12,17-18,20H,4,8,10-11,13H2,1H3,(H,30,32)(H2,26,28,29);8-14,17H,2-7,15H2,1H3,(H,30,32)(H2,26,28,29);4-9,12,16H,2-3,10-11,13H2,1H3,(H,31,33)(H2,27,29,30);7-13H,3-6,14H2,1-2H3,(H,28,30)(H2,24,26,27);5-10,12,29H,2-4,11,13H2,1H3,(H,27,30)(H2,23,25,26)
InChIKeyKADGQZLLGXKVOY-UHFFFAOYSA-N
MW2659.07 g/mol
LogP23.39
Rot. Bonds45

About 6-amino-9-[[6-[4-[2-(2-bicyclo[1.1.1]pentanyl)ethyl]phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-(2-cyclopentylethyl)phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-[2-(3,3-difluorocyclobutyl)ethyl]phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-(4-hydroxybutyl)phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[6-(4-pentylphenoxy)-3-pyridinyl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[6-[4-(3-phenylpropyl)phenoxy]-3-pyridinyl]methyl]-7H-purin-8-one

6-amino-9-[[6-[4-[2-(2-bicyclo[1.1.1]pentanyl)ethyl]phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-(2-cyclopentylethyl)phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-[2-(3,3-difluorocyclobutyl)ethyl]phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-(4-hydroxybutyl)phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[6-(4-pentylphenoxy)-3-pyridinyl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[6-[4-(3-phenylpropyl)phenoxy]-3-pyridinyl]methyl]-7H-purin-8-one (PubChem CID 159075026) has the molecular formula C146H154F2N36O13 and a molecular weight of 2659.07 g/mol. Its IUPAC name is 6-amino-9-[[6-[4-[2-(2-bicyclo[1.1.1]pentanyl)ethyl]phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-(2-cyclopentylethyl)phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-[2-(3,3-difluorocyclobutyl)ethyl]phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-(4-hydroxybutyl)phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[6-(4-pentylphenoxy)-3-pyridinyl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[6-[4-(3-phenylpropyl)phenoxy]-3-pyridinyl]methyl]-7H-purin-8-one.

Molecular Properties

Compound Name6-amino-9-[[6-[4-[2-(2-bicyclo[1.1.1]pentanyl)ethyl]phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-(2-cyclopentylethyl)phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-[2-(3,3-difluorocyclobutyl)ethyl]phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-(4-hydroxybutyl)phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[6-(4-pentylphenoxy)-3-pyridinyl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[6-[4-(3-phenylpropyl)phenoxy]-3-pyridinyl]methyl]-7H-purin-8-one
PubChem CID159075026
Molecular FormulaC146H154F2N36O13
Molecular Weight2659.07 g/mol
Exact Mass2657.25
IUPAC Name6-amino-9-[[6-[4-[2-(2-bicyclo[1.1.1]pentanyl)ethyl]phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-(2-cyclopentylethyl)phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-[2-(3,3-difluorocyclobutyl)ethyl]phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-(4-hydroxybutyl)phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[6-(4-pentylphenoxy)-3-pyridinyl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[6-[4-(3-phenylpropyl)phenoxy]-3-pyridinyl]methyl]-7H-purin-8-one
SMILESCCCCCc1ccc(Oc2ccc(Cn3c(=O)[nH]c4c(N)nc(C)nc43)cn2)cc1.Cc1nc(N)c2[nH]c(=O)n(Cc3ccc(Oc4ccc(CCC5C6CC5C6)cc4)nc3)c2n1.Cc1nc(N)c2[nH]c(=O)n(Cc3ccc(Oc4ccc(CCC5CC(F)(F)C5)cc4)nc3)c2n1.Cc1nc(N)c2[nH]c(=O)n(Cc3ccc(Oc4ccc(CCC5CCCC5)cc4)nc3)c2n1.Cc1nc(N)c2[nH]c(=O)n(Cc3ccc(Oc4ccc(CCCCO)cc4)nc3)c2n1.Cc1nc(N)c2[nH]c(=O)n(Cc3ccc(Oc4ccc(CCCc5ccccc5)cc4)nc3)c2n1
InChIInChI=1S/C27H26N6O2.C25H26N6O2.C25H28N6O2.C24H24F2N6O2.C23H26N6O2.C22H24N6O3/c1-18-30-25(28)24-26(31-18)33(27(34)32-24)17-21-12-15-23(29-16-21)35-22-13-10-20(11-14-22)9-5-8-19-6-3-2-4-7-19;1-14-28-23(26)22-24(29-14)31(25(32)30-22)13-16-5-9-21(27-12-16)33-19-6-2-15(3-7-19)4-8-20-17-10-18(20)11-17;1-16-28-23(26)22-24(29-16)31(25(32)30-22)15-19-10-13-21(27-14-19)33-20-11-8-18(9-12-20)7-6-17-4-2-3-5-17;1-14-29-21(27)20-22(30-14)32(23(33)31-20)13-17-6-9-19(28-12-17)34-18-7-4-15(5-8-18)2-3-16-10-24(25,26)11-16;1-3-4-5-6-16-7-10-18(11-8-16)31-19-12-9-17(13-25-19)14-29-22-20(28-23(29)30)21(24)26-15(2)27-22;1-14-25-20(23)19-21(26-14)28(22(30)27-19)13-16-7-10-18(24-12-16)31-17-8-5-15(6-9-17)4-2-3-11-29/h2-4,6-7,10-16H,5,8-9,17H2,1H3,(H,32,34)(H2,28,30,31);2-3,5-7,9,12,17-18,20H,4,8,10-11,13H2,1H3,(H,30,32)(H2,26,28,29);8-14,17H,2-7,15H2,1H3,(H,30,32)(H2,26,28,29);4-9,12,16H,2-3,10-11,13H2,1H3,(H,31,33)(H2,27,29,30);7-13H,3-6,14H2,1-2H3,(H,28,30)(H2,24,26,27);5-10,12,29H,2-4,11,13H2,1H3,(H,27,30)(H2,23,25,26)
InChIKeyKADGQZLLGXKVOY-UHFFFAOYSA-N
XLogP23.39
TPSA690.49 Ų
H-Bond Donors13
H-Bond Acceptors43
Rotatable Bonds45
Heavy Atoms197
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002659.07
LogP ≤ 523.39
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

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

Analyze 6-amino-9-[[6-[4-[2-(2-bicyclo[1.1.1]pentanyl)ethyl]phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-(2-cyclopentylethyl)phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-[2-(3,3-difluorocyclobutyl)ethyl]phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-(4-hydroxybutyl)phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[6-(4-pentylphenoxy)-3-pyridinyl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[6-[4-(3-phenylpropyl)phenoxy]-3-pyridinyl]methyl]-7H-purin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-(1-cyclobutylpyrazol-4-yl)-2-(1-phenoxypropan-2-ylamino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-6-yl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 157116905
CID 157118357
CID 157118357
8-(Dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(2-methoxyphenyl)methyl]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carbonitrile;8-(dimethylamino)-8-phenyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[1-(3-methoxypropyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile
CID 157121317
N,N-dimethyl-2-[2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetamide;N-ethyl-N-methyl-2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-3-yl]acetamide;3-(2-fluoropropyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(3-hydroxybutyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 157510299
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
3-butyl-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;N,N-dimethyl-2-[2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetamide;3-(2-fluoropropyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;(2S)-4-[2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]butan-2-ol;(2R)-4-[2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]butan-2-ol;4-[2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]butan-2-ol;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 157651263
6-amino-9-[[3-[3-[2-(3,3-difluorocyclobutyl)ethyl]phenoxy]phenyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[3-[3-(4-isocyanobutyl)phenoxy]phenyl]methyl]-2-methyl-7H-purin-8-one;bis(6-amino-2-methyl-9-[[3-(3-pentylphenoxy)phenyl]methyl]-7H-purin-8-one);6-amino-2-methyl-9-[[3-[3-(piperidin-1-ylmethyl)phenoxy]phenyl]methyl]-7H-purin-8-one;sulfur dioxide
CID 157685273
8-[Cyclopropylmethyl(methyl)amino]-1-[(4-methoxyphenyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
CID 157831978
5-(Cyclopropylmethyl)-7-[6-(difluoromethyl)-4-methyl-3-pyridinyl]-2-(dimethylamino)-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-5-[(1-fluorocyclopropyl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-2-(3-fluorophenyl)-5-[(1-hydroxycyclobutyl)methyl]-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one;2-(dimethylamino)-7-(2-morpholin-4-ylpyrimidin-5-yl)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one
CID 157842885
1-ethyl-2-methylidene-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridine;3-[[(3S)-oxan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(3R)-oxan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(oxan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(2R)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(2S)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrimidin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;1-(pyrimidin-2-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridin-2-one
CID 157883261
6-amino-9-[[3-[3-[2-(3,3-difluorocyclobutyl)ethyl]phenoxy]phenyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[3-[3-(4-isocyanobutyl)phenoxy]phenyl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[3-(3-pentylphenoxy)phenyl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[3-[3-(piperidin-1-ylmethyl)phenoxy]phenyl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[3-[3-(3-pyridin-4-ylpropyl)phenoxy]phenyl]methyl]-7H-purin-8-one;sulfur dioxide
CID 157889401

Frequently Asked Questions

What is the IUPAC name of 6-amino-9-[[6-[4-[2-(2-bicyclo[1.1.1]pentanyl)ethyl]phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-(2-cyclopentylethyl)phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-[2-(3,3-difluorocyclobutyl)ethyl]phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-(4-hydroxybutyl)phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[6-(4-pentylphenoxy)-3-pyridinyl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[6-[4-(3-phenylpropyl)phenoxy]-3-pyridinyl]methyl]-7H-purin-8-one?
The IUPAC name of 6-amino-9-[[6-[4-[2-(2-bicyclo[1.1.1]pentanyl)ethyl]phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-(2-cyclopentylethyl)phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-[2-(3,3-difluorocyclobutyl)ethyl]phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-(4-hydroxybutyl)phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[6-(4-pentylphenoxy)-3-pyridinyl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[6-[4-(3-phenylpropyl)phenoxy]-3-pyridinyl]methyl]-7H-purin-8-one (CID 159075026) is 6-amino-9-[[6-[4-[2-(2-bicyclo[1.1.1]pentanyl)ethyl]phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-(2-cyclopentylethyl)phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-[2-(3,3-difluorocyclobutyl)ethyl]phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-(4-hydroxybutyl)phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[6-(4-pentylphenoxy)-3-pyridinyl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[6-[4-(3-phenylpropyl)phenoxy]-3-pyridinyl]methyl]-7H-purin-8-one.
What is the SMILES notation for 6-amino-9-[[6-[4-[2-(2-bicyclo[1.1.1]pentanyl)ethyl]phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-(2-cyclopentylethyl)phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-[2-(3,3-difluorocyclobutyl)ethyl]phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-(4-hydroxybutyl)phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[6-(4-pentylphenoxy)-3-pyridinyl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[6-[4-(3-phenylpropyl)phenoxy]-3-pyridinyl]methyl]-7H-purin-8-one?
The canonical SMILES for 6-amino-9-[[6-[4-[2-(2-bicyclo[1.1.1]pentanyl)ethyl]phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-(2-cyclopentylethyl)phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-[2-(3,3-difluorocyclobutyl)ethyl]phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-(4-hydroxybutyl)phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[6-(4-pentylphenoxy)-3-pyridinyl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[6-[4-(3-phenylpropyl)phenoxy]-3-pyridinyl]methyl]-7H-purin-8-one is CCCCCc1ccc(Oc2ccc(Cn3c(=O)[nH]c4c(N)nc(C)nc43)cn2)cc1.Cc1nc(N)c2[nH]c(=O)n(Cc3ccc(Oc4ccc(CCC5C6CC5C6)cc4)nc3)c2n1.Cc1nc(N)c2[nH]c(=O)n(Cc3ccc(Oc4ccc(CCC5CC(F)(F)C5)cc4)nc3)c2n1.Cc1nc(N)c2[nH]c(=O)n(Cc3ccc(Oc4ccc(CCC5CCCC5)cc4)nc3)c2n1.Cc1nc(N)c2[nH]c(=O)n(Cc3ccc(Oc4ccc(CCCCO)cc4)nc3)c2n1.Cc1nc(N)c2[nH]c(=O)n(Cc3ccc(Oc4ccc(CCCc5ccccc5)cc4)nc3)c2n1.
What is the InChIKey of 6-amino-9-[[6-[4-[2-(2-bicyclo[1.1.1]pentanyl)ethyl]phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-(2-cyclopentylethyl)phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-[2-(3,3-difluorocyclobutyl)ethyl]phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-(4-hydroxybutyl)phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[6-(4-pentylphenoxy)-3-pyridinyl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[6-[4-(3-phenylpropyl)phenoxy]-3-pyridinyl]methyl]-7H-purin-8-one?
The InChIKey is KADGQZLLGXKVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2.C25H26N6O2.C25H28N6O2.C24H24F2N6O2.C23H26N6O2.C22H24N6O3/c1-18-30-25(28)24-26(31-18)33(27(34)32-24)17-21-12-15-23(29-16-21)35-22-13-10-20(11-14-22)9-5-8-19-6-3-2-4-7-19;1-14-28-23(26)22-24(29-14)31(25(32)30-22)13-16-5-9-21(27-12-16)33-19-6-2-15(3-7-19)4-8-20-17-10-18(20)11-17;1-16-28-23(26)22-24(29-16)31(25(32)30-22)15-19-10-13-21(27-14-19)33-20-11-8-18(9-12-20)7-6-17-4-2-3-5-17;1-14-29-21(27)20-22(30-14)32(23(33)31-20)13-17-6-9-19(28-12-17)34-18-7-4-15(5-8-18)2-3-16-10-24(25,26)11-16;1-3-4-5-6-16-7-10-18(11-8-16)31-19-12-9-17(13-25-19)14-29-22-20(28-23(29)30)21(24)26-15(2)27-22;1-14-25-20(23)19-21(26-14)28(22(30)27-19)13-16-7-10-18(24-12-16)31-17-8-5-15(6-9-17)4-2-3-11-29/h2-4,6-7,10-16H,5,8-9,17H2,1H3,(H,32,34)(H2,28,30,31);2-3,5-7,9,12,17-18,20H,4,8,10-11,13H2,1H3,(H,30,32)(H2,26,28,29);8-14,17H,2-7,15H2,1H3,(H,30,32)(H2,26,28,29);4-9,12,16H,2-3,10-11,13H2,1H3,(H,31,33)(H2,27,29,30);7-13H,3-6,14H2,1-2H3,(H,28,30)(H2,24,26,27);5-10,12,29H,2-4,11,13H2,1H3,(H,27,30)(H2,23,25,26).
What are the key properties of 6-amino-9-[[6-[4-[2-(2-bicyclo[1.1.1]pentanyl)ethyl]phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-(2-cyclopentylethyl)phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-[2-(3,3-difluorocyclobutyl)ethyl]phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-(4-hydroxybutyl)phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[6-(4-pentylphenoxy)-3-pyridinyl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[6-[4-(3-phenylpropyl)phenoxy]-3-pyridinyl]methyl]-7H-purin-8-one?
6-amino-9-[[6-[4-[2-(2-bicyclo[1.1.1]pentanyl)ethyl]phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-(2-cyclopentylethyl)phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-[2-(3,3-difluorocyclobutyl)ethyl]phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-(4-hydroxybutyl)phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[6-(4-pentylphenoxy)-3-pyridinyl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[6-[4-(3-phenylpropyl)phenoxy]-3-pyridinyl]methyl]-7H-purin-8-one has a molecular weight of 2659.07 g/mol, XLogP of 23.39, 45 rotatable bonds, 13 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-9-[[6-[4-[2-(2-bicyclo[1.1.1]pentanyl)ethyl]phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-(2-cyclopentylethyl)phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-[2-(3,3-difluorocyclobutyl)ethyl]phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[6-[4-(4-hydroxybutyl)phenoxy]-3-pyridinyl]methyl]-2-methyl-7H-purin-8-one;6-amino-2-methyl-9-[[6-(4-pentylphenoxy)-3-pyridinyl]methyl]-7H-purin-8-one;6-amino-2-methyl-9-[[6-[4-(3-phenylpropyl)phenoxy]-3-pyridinyl]methyl]-7H-purin-8-one is sourced from PubChem (CID 159075026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).