6-amino-9-[[3-[(3,3-difluoropiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(4-fluoropiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-2-(2-methoxyethoxy)-7-[(4-methoxyphenyl)methyl]-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]purin-8-one;[6-amino-2-(2-methoxyethoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]purin-8-yl] ethyl carbonate

C93H117F3N24O15 — CID 160827880

IUPAC6-amino-9-[[3-[(3,3-difluoropiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(4-fluoropiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-2-(2-methoxyethoxy)-7-[(4-methoxyphenyl)methyl]-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]purin-8-one;[6-amino-2-(2-methoxyethoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]purin-8-yl] ethyl carbonate
SMILESCCOC(=O)Oc1nc2c(N)nc(OCCOC)nc2n1Cc1cccc(CN2CCCC2)c1.COCCOc1nc(N)c2[nH]c(=O)n(Cc3cccc(CN4CCC(F)CC4)c3)c2n1.COCCOc1nc(N)c2[nH]c(=O)n(Cc3cccc(CN4CCCC(F)(F)C4)c3)c2n1.COCCOc1nc(N)c2c(n1)n(Cc1cccc(CN3CCCC3)c1)c(=O)n2Cc1ccc(OC)cc1
InChIInChI=1S/C28H34N6O4.C23H30N6O5.C21H26F2N6O3.C21H27FN6O3/c1-36-14-15-38-27-30-25(29)24-26(31-27)34(28(35)33(24)18-20-8-10-23(37-2)11-9-20)19-22-7-5-6-21(16-22)17-32-12-3-4-13-32;1-3-32-23(30)34-22-25-18-19(24)26-21(33-12-11-31-2)27-20(18)29(22)15-17-8-6-7-16(13-17)14-28-9-4-5-10-28;1-31-8-9-32-19-26-17(24)16-18(27-19)29(20(30)25-16)12-15-5-2-4-14(10-15)11-28-7-3-6-21(22,23)13-28;1-30-9-10-31-20-25-18(23)17-19(26-20)28(21(29)24-17)13-15-4-2-3-14(11-15)12-27-7-5-16(22)6-8-27/h5-11,16H,3-4,12-15,17-19H2,1-2H3,(H2,29,30,31);6-8,13H,3-5,9-12,14-15H2,1-2H3,(H2,24,26,27);2,4-5,10H,3,6-9,11-13H2,1H3,(H,25,30)(H2,24,26,27);2-4,11,16H,5-10,12-13H2,1H3,(H,24,29)(H2,23,25,26)
InChIKeySGKOHGJOXCAMDQ-UHFFFAOYSA-N
MW1868.11 g/mol
LogP9.23
Rot. Bonds37

About 6-amino-9-[[3-[(3,3-difluoropiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(4-fluoropiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-2-(2-methoxyethoxy)-7-[(4-methoxyphenyl)methyl]-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]purin-8-one;[6-amino-2-(2-methoxyethoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]purin-8-yl] ethyl carbonate

6-amino-9-[[3-[(3,3-difluoropiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(4-fluoropiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-2-(2-methoxyethoxy)-7-[(4-methoxyphenyl)methyl]-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]purin-8-one;[6-amino-2-(2-methoxyethoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]purin-8-yl] ethyl carbonate (PubChem CID 160827880) has the molecular formula C93H117F3N24O15 and a molecular weight of 1868.11 g/mol. Its IUPAC name is 6-amino-9-[[3-[(3,3-difluoropiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(4-fluoropiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-2-(2-methoxyethoxy)-7-[(4-methoxyphenyl)methyl]-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]purin-8-one;[6-amino-2-(2-methoxyethoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]purin-8-yl] ethyl carbonate.

Molecular Properties

Compound Name6-amino-9-[[3-[(3,3-difluoropiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(4-fluoropiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-2-(2-methoxyethoxy)-7-[(4-methoxyphenyl)methyl]-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]purin-8-one;[6-amino-2-(2-methoxyethoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]purin-8-yl] ethyl carbonate
PubChem CID160827880
Molecular FormulaC93H117F3N24O15
Molecular Weight1868.11 g/mol
Exact Mass1866.91
IUPAC Name6-amino-9-[[3-[(3,3-difluoropiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(4-fluoropiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-2-(2-methoxyethoxy)-7-[(4-methoxyphenyl)methyl]-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]purin-8-one;[6-amino-2-(2-methoxyethoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]purin-8-yl] ethyl carbonate
SMILESCCOC(=O)Oc1nc2c(N)nc(OCCOC)nc2n1Cc1cccc(CN2CCCC2)c1.COCCOc1nc(N)c2[nH]c(=O)n(Cc3cccc(CN4CCC(F)CC4)c3)c2n1.COCCOc1nc(N)c2[nH]c(=O)n(Cc3cccc(CN4CCCC(F)(F)C4)c3)c2n1.COCCOc1nc(N)c2c(n1)n(Cc1cccc(CN3CCCC3)c1)c(=O)n2Cc1ccc(OC)cc1
InChIInChI=1S/C28H34N6O4.C23H30N6O5.C21H26F2N6O3.C21H27FN6O3/c1-36-14-15-38-27-30-25(29)24-26(31-27)34(28(35)33(24)18-20-8-10-23(37-2)11-9-20)19-22-7-5-6-21(16-22)17-32-12-3-4-13-32;1-3-32-23(30)34-22-25-18-19(24)26-21(33-12-11-31-2)27-20(18)29(22)15-17-8-6-7-16(13-17)14-28-9-4-5-10-28;1-31-8-9-32-19-26-17(24)16-18(27-19)29(20(30)25-16)12-15-5-2-4-14(10-15)11-28-7-3-6-21(22,23)13-28;1-30-9-10-31-20-25-18(23)17-19(26-20)28(21(29)24-17)13-15-4-2-3-14(11-15)12-27-7-5-16(22)6-8-27/h5-11,16H,3-4,12-15,17-19H2,1-2H3,(H2,29,30,31);6-8,13H,3-5,9-12,14-15H2,1-2H3,(H2,24,26,27);2,4-5,10H,3,6-9,11-13H2,1H3,(H,25,30)(H2,24,26,27);2-4,11,16H,5-10,12-13H2,1H3,(H,24,29)(H2,23,25,26)
InChIKeySGKOHGJOXCAMDQ-UHFFFAOYSA-N
XLogP9.23
TPSA459.09 Ų
H-Bond Donors6
H-Bond Acceptors37
Rotatable Bonds37
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001868.11
LogP ≤ 59.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze 6-amino-9-[[3-[(3,3-difluoropiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(4-fluoropiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-2-(2-methoxyethoxy)-7-[(4-methoxyphenyl)methyl]-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]purin-8-one;[6-amino-2-(2-methoxyethoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]purin-8-yl] ethyl carbonate with MolForge

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Related Compounds

6-amino-9-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[4-fluoro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-2-(2-methoxyethoxy)-9-[[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one;6-amino-2-(2-methylpropoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one;6-amino-2-(2,2,3,3,3-pentafluoropropoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one;6-amino-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(3,3,3-trifluoropropoxy)-7H-purin-8-one
CID 157812210
6-amino-9-[[4-fluoro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-2-(2-methoxyethoxy)-9-[[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one;6-amino-2-(2-methoxyethoxy)-9-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-7H-purin-8-one;6-amino-2-(oxolan-2-ylmethoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one;6-amino-2-(2,2,3,3,3-pentafluoropropoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one;6-amino-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(3,3,3-trifluoropropoxy)-7H-purin-8-one;methane
CID 158349088
4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-chlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-ethoxy-2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-ethoxy-2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[2-(4-fluorophenyl)ethyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-fluorophenyl)methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate
CID 159132105
6-amino-9-[[4-fluoro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-2-(2-methoxyethoxy)-9-[[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one;6-amino-2-(2-methylpropoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one;6-amino-2-(oxolan-2-ylmethoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one;6-amino-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(3,3,3-trifluoropropoxy)-7H-purin-8-one
CID 159666841
6-amino-9-[[4-fluoro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-2-(2-methoxyethoxy)-9-[[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one;6-amino-2-(2-methoxyethoxy)-9-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-7H-purin-8-one;6-amino-2-(2-methylpropoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one;6-amino-2-(oxolan-2-ylmethoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one;6-amino-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(3,3,3-trifluoropropoxy)-7H-purin-8-one
CID 159945382
4-[6-amino-2-(2-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-phenylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate
CID 161101118
4-[6-amino-2-(2-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyridin-3-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate
CID 161194793
6-amino-9-[[4-fluoro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-2-(2-methoxyethoxy)-9-[[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one;6-amino-2-(2-methoxyethoxy)-9-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-7H-purin-8-one;6-amino-2-(oxolan-2-ylmethoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one;6-amino-2-(2,2,3,3,3-pentafluoropropoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one;6-amino-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(3,3,3-trifluoropropoxy)-7H-purin-8-one
CID 161907052
4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(cyclopentylmethoxy)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3,4-dimethoxyphenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(3-methylbutoxy)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(2-methylpropoxy)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(2-methylpropoxy)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(trifluoromethoxy)phenyl]methyl]carbamate
CID 162100952
4-[6-amino-2-(2-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-phenylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate
CID 163595648
4-(6-amino-2-chloropurin-9-yl)butyl N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3,4-dimethoxyphenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(3-methylbutoxy)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(2-methylpropoxy)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(2-methylpropoxy)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(trifluoromethoxy)phenyl]methyl]carbamate
CID 163943825
[6-Amino-9-[[3-[[3-[2-[[6-amino-2-(2-methoxyethoxy)-8-oxo-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]purin-7-yl]methyl]-5-methoxyphenyl]pyrrolidin-1-yl]methyl]phenyl]methyl]-2-(2-methoxyethoxy)purin-8-yl] ethyl carbonate
CID 126746268

Frequently Asked Questions

What is the IUPAC name of 6-amino-9-[[3-[(3,3-difluoropiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(4-fluoropiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-2-(2-methoxyethoxy)-7-[(4-methoxyphenyl)methyl]-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]purin-8-one;[6-amino-2-(2-methoxyethoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]purin-8-yl] ethyl carbonate?
The IUPAC name of 6-amino-9-[[3-[(3,3-difluoropiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(4-fluoropiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-2-(2-methoxyethoxy)-7-[(4-methoxyphenyl)methyl]-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]purin-8-one;[6-amino-2-(2-methoxyethoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]purin-8-yl] ethyl carbonate (CID 160827880) is 6-amino-9-[[3-[(3,3-difluoropiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(4-fluoropiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-2-(2-methoxyethoxy)-7-[(4-methoxyphenyl)methyl]-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]purin-8-one;[6-amino-2-(2-methoxyethoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]purin-8-yl] ethyl carbonate.
What is the SMILES notation for 6-amino-9-[[3-[(3,3-difluoropiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(4-fluoropiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-2-(2-methoxyethoxy)-7-[(4-methoxyphenyl)methyl]-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]purin-8-one;[6-amino-2-(2-methoxyethoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]purin-8-yl] ethyl carbonate?
The canonical SMILES for 6-amino-9-[[3-[(3,3-difluoropiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(4-fluoropiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-2-(2-methoxyethoxy)-7-[(4-methoxyphenyl)methyl]-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]purin-8-one;[6-amino-2-(2-methoxyethoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]purin-8-yl] ethyl carbonate is CCOC(=O)Oc1nc2c(N)nc(OCCOC)nc2n1Cc1cccc(CN2CCCC2)c1.COCCOc1nc(N)c2[nH]c(=O)n(Cc3cccc(CN4CCC(F)CC4)c3)c2n1.COCCOc1nc(N)c2[nH]c(=O)n(Cc3cccc(CN4CCCC(F)(F)C4)c3)c2n1.COCCOc1nc(N)c2c(n1)n(Cc1cccc(CN3CCCC3)c1)c(=O)n2Cc1ccc(OC)cc1.
What is the InChIKey of 6-amino-9-[[3-[(3,3-difluoropiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(4-fluoropiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-2-(2-methoxyethoxy)-7-[(4-methoxyphenyl)methyl]-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]purin-8-one;[6-amino-2-(2-methoxyethoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]purin-8-yl] ethyl carbonate?
The InChIKey is SGKOHGJOXCAMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O4.C23H30N6O5.C21H26F2N6O3.C21H27FN6O3/c1-36-14-15-38-27-30-25(29)24-26(31-27)34(28(35)33(24)18-20-8-10-23(37-2)11-9-20)19-22-7-5-6-21(16-22)17-32-12-3-4-13-32;1-3-32-23(30)34-22-25-18-19(24)26-21(33-12-11-31-2)27-20(18)29(22)15-17-8-6-7-16(13-17)14-28-9-4-5-10-28;1-31-8-9-32-19-26-17(24)16-18(27-19)29(20(30)25-16)12-15-5-2-4-14(10-15)11-28-7-3-6-21(22,23)13-28;1-30-9-10-31-20-25-18(23)17-19(26-20)28(21(29)24-17)13-15-4-2-3-14(11-15)12-27-7-5-16(22)6-8-27/h5-11,16H,3-4,12-15,17-19H2,1-2H3,(H2,29,30,31);6-8,13H,3-5,9-12,14-15H2,1-2H3,(H2,24,26,27);2,4-5,10H,3,6-9,11-13H2,1H3,(H,25,30)(H2,24,26,27);2-4,11,16H,5-10,12-13H2,1H3,(H,24,29)(H2,23,25,26).
What are the key properties of 6-amino-9-[[3-[(3,3-difluoropiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(4-fluoropiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-2-(2-methoxyethoxy)-7-[(4-methoxyphenyl)methyl]-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]purin-8-one;[6-amino-2-(2-methoxyethoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]purin-8-yl] ethyl carbonate?
6-amino-9-[[3-[(3,3-difluoropiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(4-fluoropiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-2-(2-methoxyethoxy)-7-[(4-methoxyphenyl)methyl]-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]purin-8-one;[6-amino-2-(2-methoxyethoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]purin-8-yl] ethyl carbonate has a molecular weight of 1868.11 g/mol, XLogP of 9.23, 37 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-9-[[3-[(3,3-difluoropiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-9-[[3-[(4-fluoropiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;6-amino-2-(2-methoxyethoxy)-7-[(4-methoxyphenyl)methyl]-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]purin-8-one;[6-amino-2-(2-methoxyethoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]purin-8-yl] ethyl carbonate is sourced from PubChem (CID 160827880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).