6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(6-phenoxy-3-pyridinyl)purin-8-one;6-amino-7-(6-phenoxy-3-pyridinyl)-9-[(3R)-pyrrolidin-3-yl]purin-8-one;tert-butyl (3R)-3-[6-amino-8-oxo-7-(6-phenoxy-3-pyridinyl)purin-9-yl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate

C84H88N26O12 — CID 162023161

IUPAC6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(6-phenoxy-3-pyridinyl)purin-8-one;6-amino-7-(6-phenoxy-3-pyridinyl)-9-[(3R)-pyrrolidin-3-yl]purin-8-one;tert-butyl (3R)-3-[6-amino-8-oxo-7-(6-phenoxy-3-pyridinyl)purin-9-yl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate
SMILESCC#CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)nc3)c3c(N)ncnc32)C1.CC(C)(C)OC(=O)N1CC[C@@H](N2C(=O)Cc3c(N)ncnc32)C1.CC(C)(C)OC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)nc3)c3c(N)ncnc32)C1.Nc1ncnc2c1n(-c1ccc(Oc3ccccc3)nc1)c(=O)n2[C@@H]1CCNC1
InChIInChI=1S/C25H27N7O4.C24H21N7O3.C20H19N7O2.C15H21N5O3/c1-25(2,3)36-24(34)30-12-11-17(14-30)32-22-20(21(26)28-15-29-22)31(23(32)33)16-9-10-19(27-13-16)35-18-7-5-4-6-8-18;1-2-6-20(32)29-12-11-17(14-29)31-23-21(22(25)27-15-28-23)30(24(31)33)16-9-10-19(26-13-16)34-18-7-4-3-5-8-18;21-18-17-19(25-12-24-18)27(14-8-9-22-10-14)20(28)26(17)13-6-7-16(23-11-13)29-15-4-2-1-3-5-15;1-15(2,3)23-14(22)19-5-4-9(7-19)20-11(21)6-10-12(16)17-8-18-13(10)20/h4-10,13,15,17H,11-12,14H2,1-3H3,(H2,26,28,29);3-5,7-10,13,15,17H,11-12,14H2,1H3,(H2,25,27,28);1-7,11-12,14,22H,8-10H2,(H2,21,24,25);8-9H,4-7H2,1-3H3,(H2,16,17,18)/t2*17-;14-;9-/m1111/s1
InChIKeyYUZZFSGAOQNIRN-GMTVLKLOSA-N
MW1653.80 g/mol
LogP8.53
Rot. Bonds13

About 6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(6-phenoxy-3-pyridinyl)purin-8-one;6-amino-7-(6-phenoxy-3-pyridinyl)-9-[(3R)-pyrrolidin-3-yl]purin-8-one;tert-butyl (3R)-3-[6-amino-8-oxo-7-(6-phenoxy-3-pyridinyl)purin-9-yl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate

6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(6-phenoxy-3-pyridinyl)purin-8-one;6-amino-7-(6-phenoxy-3-pyridinyl)-9-[(3R)-pyrrolidin-3-yl]purin-8-one;tert-butyl (3R)-3-[6-amino-8-oxo-7-(6-phenoxy-3-pyridinyl)purin-9-yl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate (PubChem CID 162023161) has the molecular formula C84H88N26O12 and a molecular weight of 1653.80 g/mol. Its IUPAC name is 6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(6-phenoxy-3-pyridinyl)purin-8-one;6-amino-7-(6-phenoxy-3-pyridinyl)-9-[(3R)-pyrrolidin-3-yl]purin-8-one;tert-butyl (3R)-3-[6-amino-8-oxo-7-(6-phenoxy-3-pyridinyl)purin-9-yl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(6-phenoxy-3-pyridinyl)purin-8-one;6-amino-7-(6-phenoxy-3-pyridinyl)-9-[(3R)-pyrrolidin-3-yl]purin-8-one;tert-butyl (3R)-3-[6-amino-8-oxo-7-(6-phenoxy-3-pyridinyl)purin-9-yl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate
PubChem CID162023161
Molecular FormulaC84H88N26O12
Molecular Weight1653.80 g/mol
Exact Mass1652.71
IUPAC Name6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(6-phenoxy-3-pyridinyl)purin-8-one;6-amino-7-(6-phenoxy-3-pyridinyl)-9-[(3R)-pyrrolidin-3-yl]purin-8-one;tert-butyl (3R)-3-[6-amino-8-oxo-7-(6-phenoxy-3-pyridinyl)purin-9-yl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate
SMILESCC#CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)nc3)c3c(N)ncnc32)C1.CC(C)(C)OC(=O)N1CC[C@@H](N2C(=O)Cc3c(N)ncnc32)C1.CC(C)(C)OC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)nc3)c3c(N)ncnc32)C1.Nc1ncnc2c1n(-c1ccc(Oc3ccccc3)nc1)c(=O)n2[C@@H]1CCNC1
InChIInChI=1S/C25H27N7O4.C24H21N7O3.C20H19N7O2.C15H21N5O3/c1-25(2,3)36-24(34)30-12-11-17(14-30)32-22-20(21(26)28-15-29-22)31(23(32)33)16-9-10-19(27-13-16)35-18-7-5-4-6-8-18;1-2-6-20(32)29-12-11-17(14-29)31-23-21(22(25)27-15-28-23)30(24(31)33)16-9-10-19(26-13-16)34-18-7-4-3-5-8-18;21-18-17-19(25-12-24-18)27(14-8-9-22-10-14)20(28)26(17)13-6-7-16(23-11-13)29-15-4-2-1-3-5-15;1-15(2,3)23-14(22)19-5-4-9(7-19)20-11(21)6-10-12(16)17-8-18-13(10)20/h4-10,13,15,17H,11-12,14H2,1-3H3,(H2,26,28,29);3-5,7-10,13,15,17H,11-12,14H2,1H3,(H2,25,27,28);1-7,11-12,14,22H,8-10H2,(H2,21,24,25);8-9H,4-7H2,1-3H3,(H2,16,17,18)/t2*17-;14-;9-/m1111/s1
InChIKeyYUZZFSGAOQNIRN-GMTVLKLOSA-N
XLogP8.53
TPSA466.08 Ų
H-Bond Donors5
H-Bond Acceptors34
Rotatable Bonds13
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001653.80
LogP ≤ 58.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze 6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(6-phenoxy-3-pyridinyl)purin-8-one;6-amino-7-(6-phenoxy-3-pyridinyl)-9-[(3R)-pyrrolidin-3-yl]purin-8-one;tert-butyl (3R)-3-[6-amino-8-oxo-7-(6-phenoxy-3-pyridinyl)purin-9-yl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate with MolForge

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Related Compounds

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-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 160365133
2-(2-butan-2-yloxy-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-cyclobutyloxy-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yloxy-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 160846755
2-(2-butan-2-yloxy-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-ethoxyethoxy)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yloxy-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 160906817
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-2-methyl-9-[[6-[4-(4-methylpentyl)phenoxy]-3-pyridinyl]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 161742064
(E)-N-[3-[6-amino-7-[4-[3-[[3-[6-amino-8-oxo-7-(6-phenoxy-3-pyridinyl)purin-9-yl]-N-[(E)-4-[cyclopropyl(methyl)amino]but-2-enoyl]anilino]methyl]phenoxy]phenyl]-8-oxopurin-9-yl]phenyl]-N-[[2-[4-[6-amino-9-[3-[[(E)-4-[cyclopropyl(methyl)amino]but-2-enoyl]-methylamino]phenyl]-8-oxopurin-7-yl]phenoxy]-4-pyridinyl]methyl]-4-pyrrolidin-1-ylbut-2-enamide
CID 129083039
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
(E)-4-(dimethylamino)-1-[4-[6-(3-phenoxyprop-1-ynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]but-2-en-1-one;1-[4-[6-(3-methoxyprop-1-ynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;(E)-4-(methylamino)-1-[4-[6-(3-phenoxyprop-1-ynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]but-2-en-1-one;1-[4-[6-(3-phenoxyprop-1-ynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-(3-phenylmethoxyprop-1-ynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 157208498
6-amino-9-[2-(methylamino)ethyl]-7-(4-phenoxyphenyl)purin-8-one;tert-butyl N-[2-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]ethyl]-N-methylcarbamate;tert-butyl N-[2-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)ethyl]-N-methylcarbamate
CID 157277826
6-amino-9-[3-(methylamino)phenyl]-7-(5-phenoxy-2-pyridinyl)purin-8-one;(E)-N-[3-[6-amino-8-oxo-7-(5-phenoxy-2-pyridinyl)purin-9-yl]phenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;tert-butyl N-[3-[6-amino-8-oxo-7-(5-phenoxy-2-pyridinyl)purin-9-yl]phenyl]-N-methylcarbamate;(E)-4-[cyclopropyl(methyl)amino]but-2-enoic acid
CID 157422688
6-amino-9-(3-aminophenyl)-7-(4-phenoxyphenyl)purin-8-one;(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]phenyl]-4-(dimethylamino)but-2-enamide;tert-butyl N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]phenyl]carbamate;tert-butyl N-[3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)phenyl]carbamate;(E)-4-(dimethylamino)but-2-enoyl chloride;(4-methylphenyl)boronic acid
CID 157490710
6-amino-7-(4-chlorophenyl)-9-[1-[(E)-4-[methyl(pyridin-2-yl)amino]but-2-enoyl]pyrrolidin-3-yl]purin-8-one;N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]phenyl]-N-methylprop-2-enamide;(E)-N-[5-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-2-pyridinyl]-N-methylpent-2-enamide;8-methylidene-7-(4-phenoxyphenyl)-9-phenylpurin-6-amine;8-methylidene-7-(4-phenoxyphenyl)-9-pyridin-3-ylpurin-6-amine
CID 157637791
6-amino-9-[1-[(E)-4-(dicyclopropylamino)but-2-enoyl]pyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one;6-amino-9-[1-[(E)-4-[methyl(oxan-4-yl)amino]but-2-enoyl]pyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one;6-amino-9-[1-[(E)-4-[methyl(pyridin-2-yl)amino]but-2-enoyl]pyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one
CID 157787073

Frequently Asked Questions

What is the IUPAC name of 6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(6-phenoxy-3-pyridinyl)purin-8-one;6-amino-7-(6-phenoxy-3-pyridinyl)-9-[(3R)-pyrrolidin-3-yl]purin-8-one;tert-butyl (3R)-3-[6-amino-8-oxo-7-(6-phenoxy-3-pyridinyl)purin-9-yl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate?
The IUPAC name of 6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(6-phenoxy-3-pyridinyl)purin-8-one;6-amino-7-(6-phenoxy-3-pyridinyl)-9-[(3R)-pyrrolidin-3-yl]purin-8-one;tert-butyl (3R)-3-[6-amino-8-oxo-7-(6-phenoxy-3-pyridinyl)purin-9-yl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate (CID 162023161) is 6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(6-phenoxy-3-pyridinyl)purin-8-one;6-amino-7-(6-phenoxy-3-pyridinyl)-9-[(3R)-pyrrolidin-3-yl]purin-8-one;tert-butyl (3R)-3-[6-amino-8-oxo-7-(6-phenoxy-3-pyridinyl)purin-9-yl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for 6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(6-phenoxy-3-pyridinyl)purin-8-one;6-amino-7-(6-phenoxy-3-pyridinyl)-9-[(3R)-pyrrolidin-3-yl]purin-8-one;tert-butyl (3R)-3-[6-amino-8-oxo-7-(6-phenoxy-3-pyridinyl)purin-9-yl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for 6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(6-phenoxy-3-pyridinyl)purin-8-one;6-amino-7-(6-phenoxy-3-pyridinyl)-9-[(3R)-pyrrolidin-3-yl]purin-8-one;tert-butyl (3R)-3-[6-amino-8-oxo-7-(6-phenoxy-3-pyridinyl)purin-9-yl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate is CC#CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)nc3)c3c(N)ncnc32)C1.CC(C)(C)OC(=O)N1CC[C@@H](N2C(=O)Cc3c(N)ncnc32)C1.CC(C)(C)OC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)nc3)c3c(N)ncnc32)C1.Nc1ncnc2c1n(-c1ccc(Oc3ccccc3)nc1)c(=O)n2[C@@H]1CCNC1.
What is the InChIKey of 6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(6-phenoxy-3-pyridinyl)purin-8-one;6-amino-7-(6-phenoxy-3-pyridinyl)-9-[(3R)-pyrrolidin-3-yl]purin-8-one;tert-butyl (3R)-3-[6-amino-8-oxo-7-(6-phenoxy-3-pyridinyl)purin-9-yl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate?
The InChIKey is YUZZFSGAOQNIRN-GMTVLKLOSA-N. The full InChI is InChI=1S/C25H27N7O4.C24H21N7O3.C20H19N7O2.C15H21N5O3/c1-25(2,3)36-24(34)30-12-11-17(14-30)32-22-20(21(26)28-15-29-22)31(23(32)33)16-9-10-19(27-13-16)35-18-7-5-4-6-8-18;1-2-6-20(32)29-12-11-17(14-29)31-23-21(22(25)27-15-28-23)30(24(31)33)16-9-10-19(26-13-16)34-18-7-4-3-5-8-18;21-18-17-19(25-12-24-18)27(14-8-9-22-10-14)20(28)26(17)13-6-7-16(23-11-13)29-15-4-2-1-3-5-15;1-15(2,3)23-14(22)19-5-4-9(7-19)20-11(21)6-10-12(16)17-8-18-13(10)20/h4-10,13,15,17H,11-12,14H2,1-3H3,(H2,26,28,29);3-5,7-10,13,15,17H,11-12,14H2,1H3,(H2,25,27,28);1-7,11-12,14,22H,8-10H2,(H2,21,24,25);8-9H,4-7H2,1-3H3,(H2,16,17,18)/t2*17-;14-;9-/m1111/s1.
What are the key properties of 6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(6-phenoxy-3-pyridinyl)purin-8-one;6-amino-7-(6-phenoxy-3-pyridinyl)-9-[(3R)-pyrrolidin-3-yl]purin-8-one;tert-butyl (3R)-3-[6-amino-8-oxo-7-(6-phenoxy-3-pyridinyl)purin-9-yl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate?
6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(6-phenoxy-3-pyridinyl)purin-8-one;6-amino-7-(6-phenoxy-3-pyridinyl)-9-[(3R)-pyrrolidin-3-yl]purin-8-one;tert-butyl (3R)-3-[6-amino-8-oxo-7-(6-phenoxy-3-pyridinyl)purin-9-yl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate has a molecular weight of 1653.80 g/mol, XLogP of 8.53, 13 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(6-phenoxy-3-pyridinyl)purin-8-one;6-amino-7-(6-phenoxy-3-pyridinyl)-9-[(3R)-pyrrolidin-3-yl]purin-8-one;tert-butyl (3R)-3-[6-amino-8-oxo-7-(6-phenoxy-3-pyridinyl)purin-9-yl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 162023161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).