N-cyclopropyl-2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetamide;2-[2-(2,6-dimethylmorpholin-4-yl)-6-(1H-inden-4-yl)purin-9-yl]acetonitrile;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-morpholin-4-ylethanone;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-propan-2-ylacetamide

C83H92N24O11 — CID 123979552

IUPACN-cyclopropyl-2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetamide;2-[2-(2,6-dimethylmorpholin-4-yl)-6-(1H-inden-4-yl)purin-9-yl]acetonitrile;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-morpholin-4-ylethanone;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.CC1CN(c2nc(-c3cccc4c3C=CC4)c3ncn(CC#N)c3n2)CC(C)O1.O=C(Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21)N1CCOCC1.O=C(Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21)NC1CC1
InChIInChI=1S/C22H22N6O.C21H24N6O4.C20H22N6O3.C20H24N6O3/c1-14-11-28(12-15(2)29-14)22-25-19(18-8-4-6-16-5-3-7-17(16)18)20-21(26-22)27(10-9-23)13-24-20;28-16-3-1-2-15(12-16)18-19-20(24-21(23-18)26-6-10-31-11-7-26)27(14-22-19)13-17(29)25-4-8-30-9-5-25;27-15-3-1-2-13(10-15)17-18-19(24-20(23-17)25-6-8-29-9-7-25)26(12-21-18)11-16(28)22-14-4-5-14;1-13(2)22-16(28)11-26-12-21-18-17(14-4-3-5-15(27)10-14)23-20(24-19(18)26)25-6-8-29-9-7-25/h3-4,6-8,13-15H,5,10-12H2,1-2H3;1-3,12,14,28H,4-11,13H2;1-3,10,12,14,27H,4-9,11H2,(H,22,28);3-5,10,12-13,27H,6-9,11H2,1-2H3,(H,22,28)
InChIKeyHYPWDDRVPRAZBF-UHFFFAOYSA-N
MW1601.81 g/mol
LogP6.97
Rot. Bonds17

About N-cyclopropyl-2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetamide;2-[2-(2,6-dimethylmorpholin-4-yl)-6-(1H-inden-4-yl)purin-9-yl]acetonitrile;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-morpholin-4-ylethanone;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-propan-2-ylacetamide

N-cyclopropyl-2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetamide;2-[2-(2,6-dimethylmorpholin-4-yl)-6-(1H-inden-4-yl)purin-9-yl]acetonitrile;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-morpholin-4-ylethanone;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-propan-2-ylacetamide (PubChem CID 123979552) has the molecular formula C83H92N24O11 and a molecular weight of 1601.81 g/mol. Its IUPAC name is N-cyclopropyl-2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetamide;2-[2-(2,6-dimethylmorpholin-4-yl)-6-(1H-inden-4-yl)purin-9-yl]acetonitrile;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-morpholin-4-ylethanone;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetamide;2-[2-(2,6-dimethylmorpholin-4-yl)-6-(1H-inden-4-yl)purin-9-yl]acetonitrile;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-morpholin-4-ylethanone;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-propan-2-ylacetamide
PubChem CID123979552
Molecular FormulaC83H92N24O11
Molecular Weight1601.81 g/mol
Exact Mass1600.74
IUPAC NameN-cyclopropyl-2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetamide;2-[2-(2,6-dimethylmorpholin-4-yl)-6-(1H-inden-4-yl)purin-9-yl]acetonitrile;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-morpholin-4-ylethanone;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.CC1CN(c2nc(-c3cccc4c3C=CC4)c3ncn(CC#N)c3n2)CC(C)O1.O=C(Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21)N1CCOCC1.O=C(Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21)NC1CC1
InChIInChI=1S/C22H22N6O.C21H24N6O4.C20H22N6O3.C20H24N6O3/c1-14-11-28(12-15(2)29-14)22-25-19(18-8-4-6-16-5-3-7-17(16)18)20-21(26-22)27(10-9-23)13-24-20;28-16-3-1-2-15(12-16)18-19-20(24-21(23-18)26-6-10-31-11-7-26)27(14-22-19)13-17(29)25-4-8-30-9-5-25;27-15-3-1-2-13(10-15)17-18-19(24-20(23-17)25-6-8-29-9-7-25)26(12-21-18)11-16(28)22-14-4-5-14;1-13(2)22-16(28)11-26-12-21-18-17(14-4-3-5-15(27)10-14)23-20(24-19(18)26)25-6-8-29-9-7-25/h3-4,6-8,13-15H,5,10-12H2,1-2H3;1-3,12,14,28H,4-11,13H2;1-3,10,12,14,27H,4-9,11H2,(H,22,28);3-5,10,12-13,27H,6-9,11H2,1-2H3,(H,22,28)
InChIKeyHYPWDDRVPRAZBF-UHFFFAOYSA-N
XLogP6.97
TPSA396.50 Ų
H-Bond Donors5
H-Bond Acceptors32
Rotatable Bonds17
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001601.81
LogP ≤ 56.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1032

Analyze N-cyclopropyl-2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetamide;2-[2-(2,6-dimethylmorpholin-4-yl)-6-(1H-inden-4-yl)purin-9-yl]acetonitrile;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-morpholin-4-ylethanone;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-propan-2-ylacetamide 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-[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
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
3-[9-[(3-Methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-[(4-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol
CID 123459664

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetamide;2-[2-(2,6-dimethylmorpholin-4-yl)-6-(1H-inden-4-yl)purin-9-yl]acetonitrile;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-morpholin-4-ylethanone;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-propan-2-ylacetamide?
The IUPAC name of N-cyclopropyl-2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetamide;2-[2-(2,6-dimethylmorpholin-4-yl)-6-(1H-inden-4-yl)purin-9-yl]acetonitrile;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-morpholin-4-ylethanone;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-propan-2-ylacetamide (CID 123979552) is N-cyclopropyl-2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetamide;2-[2-(2,6-dimethylmorpholin-4-yl)-6-(1H-inden-4-yl)purin-9-yl]acetonitrile;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-morpholin-4-ylethanone;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetamide;2-[2-(2,6-dimethylmorpholin-4-yl)-6-(1H-inden-4-yl)purin-9-yl]acetonitrile;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-morpholin-4-ylethanone;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-propan-2-ylacetamide?
The canonical SMILES for N-cyclopropyl-2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetamide;2-[2-(2,6-dimethylmorpholin-4-yl)-6-(1H-inden-4-yl)purin-9-yl]acetonitrile;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-morpholin-4-ylethanone;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.CC1CN(c2nc(-c3cccc4c3C=CC4)c3ncn(CC#N)c3n2)CC(C)O1.O=C(Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21)N1CCOCC1.O=C(Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetamide;2-[2-(2,6-dimethylmorpholin-4-yl)-6-(1H-inden-4-yl)purin-9-yl]acetonitrile;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-morpholin-4-ylethanone;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-propan-2-ylacetamide?
The InChIKey is HYPWDDRVPRAZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O.C21H24N6O4.C20H22N6O3.C20H24N6O3/c1-14-11-28(12-15(2)29-14)22-25-19(18-8-4-6-16-5-3-7-17(16)18)20-21(26-22)27(10-9-23)13-24-20;28-16-3-1-2-15(12-16)18-19-20(24-21(23-18)26-6-10-31-11-7-26)27(14-22-19)13-17(29)25-4-8-30-9-5-25;27-15-3-1-2-13(10-15)17-18-19(24-20(23-17)25-6-8-29-9-7-25)26(12-21-18)11-16(28)22-14-4-5-14;1-13(2)22-16(28)11-26-12-21-18-17(14-4-3-5-15(27)10-14)23-20(24-19(18)26)25-6-8-29-9-7-25/h3-4,6-8,13-15H,5,10-12H2,1-2H3;1-3,12,14,28H,4-11,13H2;1-3,10,12,14,27H,4-9,11H2,(H,22,28);3-5,10,12-13,27H,6-9,11H2,1-2H3,(H,22,28).
What are the key properties of N-cyclopropyl-2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetamide;2-[2-(2,6-dimethylmorpholin-4-yl)-6-(1H-inden-4-yl)purin-9-yl]acetonitrile;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-morpholin-4-ylethanone;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-propan-2-ylacetamide?
N-cyclopropyl-2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetamide;2-[2-(2,6-dimethylmorpholin-4-yl)-6-(1H-inden-4-yl)purin-9-yl]acetonitrile;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-morpholin-4-ylethanone;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-propan-2-ylacetamide has a molecular weight of 1601.81 g/mol, XLogP of 6.97, 17 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetamide;2-[2-(2,6-dimethylmorpholin-4-yl)-6-(1H-inden-4-yl)purin-9-yl]acetonitrile;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-morpholin-4-ylethanone;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 123979552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).