tert-butyl 4-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxylate;3-[9-(1-butylpiperidin-4-yl)-2-morpholin-4-ylpurin-6-yl]phenol;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide;4-[6-(1H-inden-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine

C95H112N24O10 — CID 123799480

IUPACtert-butyl 4-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxylate;3-[9-(1-butylpiperidin-4-yl)-2-morpholin-4-ylpurin-6-yl]phenol;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide;4-[6-(1H-inden-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine
SMILESC1=Cc2c(cccc2-c2nc(N3CCOCC3)nc3c2ncn3C2CCNCC2)C1.CC(C)(C)OC(=O)N1CCC(n2cnc3c(-c4cccc(O)c4)nc(N4CCOCC4)nc32)CC1.CCCCN1CCC(n2cnc3c(-c4cccc(O)c4)nc(N4CCOCC4)nc32)CC1.O=C(Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21)Nc1ccccc1
InChIInChI=1S/C25H32N6O4.C24H32N6O2.C23H22N6O3.C23H26N6O/c1-25(2,3)35-24(33)30-9-7-18(8-10-30)31-16-26-21-20(17-5-4-6-19(32)15-17)27-23(28-22(21)31)29-11-13-34-14-12-29;1-2-3-9-28-10-7-19(8-11-28)30-17-25-22-21(18-5-4-6-20(31)16-18)26-24(27-23(22)30)29-12-14-32-15-13-29;30-18-8-4-5-16(13-18)20-21-22(27-23(26-20)28-9-11-32-12-10-28)29(15-24-21)14-19(31)25-17-6-2-1-3-7-17;1-3-16-4-2-6-19(18(16)5-1)20-21-22(27-23(26-20)28-11-13-30-14-12-28)29(15-25-21)17-7-9-24-10-8-17/h4-6,15-16,18,32H,7-14H2,1-3H3;4-6,16-17,19,31H,2-3,7-15H2,1H3;1-8,13,15,30H,9-12,14H2,(H,25,31);1-2,4-6,15,17,24H,3,7-14H2
InChIKeyHHGIYLLXAISZFG-UHFFFAOYSA-N
MW1750.10 g/mol
LogP12.58
Rot. Bonds17

About tert-butyl 4-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxylate;3-[9-(1-butylpiperidin-4-yl)-2-morpholin-4-ylpurin-6-yl]phenol;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide;4-[6-(1H-inden-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine

tert-butyl 4-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxylate;3-[9-(1-butylpiperidin-4-yl)-2-morpholin-4-ylpurin-6-yl]phenol;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide;4-[6-(1H-inden-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine (PubChem CID 123799480) has the molecular formula C95H112N24O10 and a molecular weight of 1750.10 g/mol. Its IUPAC name is tert-butyl 4-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxylate;3-[9-(1-butylpiperidin-4-yl)-2-morpholin-4-ylpurin-6-yl]phenol;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide;4-[6-(1H-inden-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine.

Molecular Properties

Compound Nametert-butyl 4-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxylate;3-[9-(1-butylpiperidin-4-yl)-2-morpholin-4-ylpurin-6-yl]phenol;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide;4-[6-(1H-inden-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine
PubChem CID123799480
Molecular FormulaC95H112N24O10
Molecular Weight1750.10 g/mol
Exact Mass1748.90
IUPAC Nametert-butyl 4-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxylate;3-[9-(1-butylpiperidin-4-yl)-2-morpholin-4-ylpurin-6-yl]phenol;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide;4-[6-(1H-inden-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine
SMILESC1=Cc2c(cccc2-c2nc(N3CCOCC3)nc3c2ncn3C2CCNCC2)C1.CC(C)(C)OC(=O)N1CCC(n2cnc3c(-c4cccc(O)c4)nc(N4CCOCC4)nc32)CC1.CCCCN1CCC(n2cnc3c(-c4cccc(O)c4)nc(N4CCOCC4)nc32)CC1.O=C(Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21)Nc1ccccc1
InChIInChI=1S/C25H32N6O4.C24H32N6O2.C23H22N6O3.C23H26N6O/c1-25(2,3)35-24(33)30-9-7-18(8-10-30)31-16-26-21-20(17-5-4-6-19(32)15-17)27-23(28-22(21)31)29-11-13-34-14-12-29;1-2-3-9-28-10-7-19(8-11-28)30-17-25-22-21(18-5-4-6-20(31)16-18)26-24(27-23(22)30)29-12-14-32-15-13-29;30-18-8-4-5-16(13-18)20-21-22(27-23(26-20)28-9-11-32-12-10-28)29(15-24-21)14-19(31)25-17-6-2-1-3-7-17;1-3-16-4-2-6-19(18(16)5-1)20-21-22(27-23(26-20)28-11-13-30-14-12-28)29(15-25-21)17-7-9-24-10-8-17/h4-6,15-16,18,32H,7-14H2,1-3H3;4-6,16-17,19,31H,2-3,7-15H2,1H3;1-8,13,15,30H,9-12,14H2,(H,25,31);1-2,4-6,15,17,24H,3,7-14H2
InChIKeyHHGIYLLXAISZFG-UHFFFAOYSA-N
XLogP12.58
TPSA358.88 Ų
H-Bond Donors5
H-Bond Acceptors32
Rotatable Bonds17
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001750.10
LogP ≤ 512.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1032

Analyze tert-butyl 4-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxylate;3-[9-(1-butylpiperidin-4-yl)-2-morpholin-4-ylpurin-6-yl]phenol;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide;4-[6-(1H-inden-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine with MolForge

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Related Compounds

4-[6-(3H-benzimidazol-5-yl)-9-benzylpurin-2-yl]morpholine;3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)aniline;N-[4-[[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]methyl]phenyl]-3-piperidin-1-ylpropanamide;3-[9-(3-methylphenyl)-2-morpholin-4-ylpurin-6-yl]phenol;3-[2-morpholin-4-yl-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-yl]phenol
CID 158739479
4-[6-(3H-benzimidazol-5-yl)-9-benzylpurin-2-yl]morpholine;3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)aniline;3-[9-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-morpholin-4-ylpurin-6-yl]phenol;N-[4-[[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]methyl]phenyl]-3-piperidin-1-ylpropanamide;3-[9-(3-methylphenyl)-2-morpholin-4-ylpurin-6-yl]phenol
CID 162135954
[(3S,8S)-8-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-4-(imidazo[1,2-a]pyridin-6-ylmethylamino)pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl 4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-1-yl]methyl]piperidine-1-carboxylate
CID 176739956
Bis[2-[4-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-4-methylpiperazin-1-yl]methanone
CID 87260832
3-[9-[2-[3-[9-(2-Methoxyethyl)-2-morpholin-4-ylpurin-6-yl]phenyl]ethyl]-2-morpholin-4-ylpurin-6-yl]phenol
CID 91188953
4-[9-benzyl-6-(1H-inden-4-yl)purin-2-yl]morpholine;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-(4-methylpiperazin-1-yl)ethanone;4-[6-(1H-inden-4-yl)-9-(2-methoxyethyl)purin-2-yl]morpholine;4-[6-(1H-inden-4-yl)-9-(1-phenylethyl)purin-2-yl]morpholine
CID 123135964
3-(9-butan-2-yl-8-ethyl-2-morpholin-4-ylpurin-6-yl)phenol;4-[9-butan-2-yl-6-(1H-isoindol-4-yl)purin-2-yl]morpholine;4-[6-(1H-inden-4-yl)-9-(1-methylsulfonylpiperidin-4-yl)purin-2-yl]morpholine;4-[6-(1H-inden-4-yl)-9-(oxolan-3-yl)purin-2-yl]morpholine
CID 123152281
3-[9-[(3-Methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;bis(3-[9-[(4-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol);[3-[9-[(4-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenyl]methyl formate
CID 123208444
tert-butyl 4-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxylate;4-[9-(cyclohexylmethyl)-6-(1H-inden-4-yl)purin-2-yl]morpholine;3-[9-(cyclohexylmethyl)-2-morpholin-4-ylpurin-6-yl]phenol;ethyl 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetate
CID 123225682
3-(9-cyclopentyl-2-morpholin-4-ylpurin-6-yl)phenol;3-[9-[2-(diethylamino)ethyl]-2-morpholin-4-ylpurin-6-yl]phenol;1-[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one;1-[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-3-piperidin-1-ylpropan-1-one
CID 123232827
bis(3-(9-butan-2-yl-8-methyl-2-morpholin-4-ylpurin-6-yl)phenol);3-(8-methyl-2-morpholin-4-yl-7H-purin-6-yl)phenol
CID 123311520
3-[9-(1-butylpiperidin-4-yl)-2-morpholin-4-ylpurin-6-yl]phenol;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide;4-[6-(1H-inden-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine
CID 123384119

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxylate;3-[9-(1-butylpiperidin-4-yl)-2-morpholin-4-ylpurin-6-yl]phenol;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide;4-[6-(1H-inden-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine?
The IUPAC name of tert-butyl 4-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxylate;3-[9-(1-butylpiperidin-4-yl)-2-morpholin-4-ylpurin-6-yl]phenol;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide;4-[6-(1H-inden-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine (CID 123799480) is tert-butyl 4-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxylate;3-[9-(1-butylpiperidin-4-yl)-2-morpholin-4-ylpurin-6-yl]phenol;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide;4-[6-(1H-inden-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine.
What is the SMILES notation for tert-butyl 4-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxylate;3-[9-(1-butylpiperidin-4-yl)-2-morpholin-4-ylpurin-6-yl]phenol;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide;4-[6-(1H-inden-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine?
The canonical SMILES for tert-butyl 4-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxylate;3-[9-(1-butylpiperidin-4-yl)-2-morpholin-4-ylpurin-6-yl]phenol;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide;4-[6-(1H-inden-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine is C1=Cc2c(cccc2-c2nc(N3CCOCC3)nc3c2ncn3C2CCNCC2)C1.CC(C)(C)OC(=O)N1CCC(n2cnc3c(-c4cccc(O)c4)nc(N4CCOCC4)nc32)CC1.CCCCN1CCC(n2cnc3c(-c4cccc(O)c4)nc(N4CCOCC4)nc32)CC1.O=C(Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21)Nc1ccccc1.
What is the InChIKey of tert-butyl 4-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxylate;3-[9-(1-butylpiperidin-4-yl)-2-morpholin-4-ylpurin-6-yl]phenol;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide;4-[6-(1H-inden-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine?
The InChIKey is HHGIYLLXAISZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O4.C24H32N6O2.C23H22N6O3.C23H26N6O/c1-25(2,3)35-24(33)30-9-7-18(8-10-30)31-16-26-21-20(17-5-4-6-19(32)15-17)27-23(28-22(21)31)29-11-13-34-14-12-29;1-2-3-9-28-10-7-19(8-11-28)30-17-25-22-21(18-5-4-6-20(31)16-18)26-24(27-23(22)30)29-12-14-32-15-13-29;30-18-8-4-5-16(13-18)20-21-22(27-23(26-20)28-9-11-32-12-10-28)29(15-24-21)14-19(31)25-17-6-2-1-3-7-17;1-3-16-4-2-6-19(18(16)5-1)20-21-22(27-23(26-20)28-11-13-30-14-12-28)29(15-25-21)17-7-9-24-10-8-17/h4-6,15-16,18,32H,7-14H2,1-3H3;4-6,16-17,19,31H,2-3,7-15H2,1H3;1-8,13,15,30H,9-12,14H2,(H,25,31);1-2,4-6,15,17,24H,3,7-14H2.
What are the key properties of tert-butyl 4-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxylate;3-[9-(1-butylpiperidin-4-yl)-2-morpholin-4-ylpurin-6-yl]phenol;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide;4-[6-(1H-inden-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine?
tert-butyl 4-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxylate;3-[9-(1-butylpiperidin-4-yl)-2-morpholin-4-ylpurin-6-yl]phenol;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide;4-[6-(1H-inden-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine has a molecular weight of 1750.10 g/mol, XLogP of 12.58, 17 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxylate;3-[9-(1-butylpiperidin-4-yl)-2-morpholin-4-ylpurin-6-yl]phenol;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide;4-[6-(1H-inden-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine is sourced from PubChem (CID 123799480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).