4-[4-[6-amino-9-(2-methyl-3-pyridinyl)purin-2-yl]piperazin-1-yl]phenol;ethyl 2-[6-(benzimidazol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetate;ethyl 2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]acetate;4-[4-(6-indazol-1-yl-9-pyridin-3-ylpurin-2-yl)piperazin-1-yl]phenol;4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol

C128H121N41O9 — CID 164987394

IUPAC4-[4-[6-amino-9-(2-methyl-3-pyridinyl)purin-2-yl]piperazin-1-yl]phenol;ethyl 2-[6-(benzimidazol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetate;ethyl 2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]acetate;4-[4-(6-indazol-1-yl-9-pyridin-3-ylpurin-2-yl)piperazin-1-yl]phenol;4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol
SMILESCCOC(=O)Cn1cnc2c(-n3cnc4ccccc43)nc(N3CCN(c4ccc(O)cc4)CC3)nc21.CCOC(=O)Cn1cnc2c(-n3ncc4ccccc43)nc(N3CCN(c4ccc(O)cc4)CC3)nc21.Cc1ncccc1-n1cnc2c(N)nc(N3CCN(c4ccc(O)cc4)CC3)nc21.Oc1ccc(N2CCN(c3cc(-n4ncc5ccccc54)n4ncc(-c5cccnc5)c4n3)CC2)cc1.Oc1ccc(N2CCN(c3nc(-n4ncc5ccccc54)c4ncn(-c5cccnc5)c4n3)CC2)cc1
InChIInChI=1S/C28H24N8O.C27H23N9O.2C26H26N8O3.C21H22N8O/c37-23-9-7-22(8-10-23)33-12-14-34(15-13-33)26-16-27(35-25-6-2-1-4-21(25)18-30-35)36-28(32-26)24(19-31-36)20-5-3-11-29-17-20;37-22-9-7-20(8-10-22)33-12-14-34(15-13-33)27-31-25-24(29-18-35(25)21-5-3-11-28-17-21)26(32-27)36-23-6-2-1-4-19(23)16-30-36;1-2-37-22(36)15-33-16-28-23-24(33)29-26(30-25(23)34-17-27-20-5-3-4-6-21(20)34)32-13-11-31(12-14-32)18-7-9-19(35)10-8-18;1-2-37-22(36)16-33-17-27-23-24(33)29-26(30-25(23)34-21-6-4-3-5-18(21)15-28-34)32-13-11-31(12-14-32)19-7-9-20(35)10-8-19;1-14-17(3-2-8-23-14)29-13-24-18-19(22)25-21(26-20(18)29)28-11-9-27(10-12-28)15-4-6-16(30)7-5-15/h1-11,16-19,37H,12-15H2;1-11,16-18,37H,12-15H2;3-10,16-17,35H,2,11-15H2,1H3;3-10,15,17,35H,2,11-14,16H2,1H3;2-8,13,30H,9-12H2,1H3,(H2,22,25,26)
InChIKeyGIVXQVSNHFCNKJ-UHFFFAOYSA-N
MW2377.65 g/mol
LogP15.40
Rot. Bonds23

About 4-[4-[6-amino-9-(2-methyl-3-pyridinyl)purin-2-yl]piperazin-1-yl]phenol;ethyl 2-[6-(benzimidazol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetate;ethyl 2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]acetate;4-[4-(6-indazol-1-yl-9-pyridin-3-ylpurin-2-yl)piperazin-1-yl]phenol;4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol

4-[4-[6-amino-9-(2-methyl-3-pyridinyl)purin-2-yl]piperazin-1-yl]phenol;ethyl 2-[6-(benzimidazol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetate;ethyl 2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]acetate;4-[4-(6-indazol-1-yl-9-pyridin-3-ylpurin-2-yl)piperazin-1-yl]phenol;4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol (PubChem CID 164987394) has the molecular formula C128H121N41O9 and a molecular weight of 2377.65 g/mol. Its IUPAC name is 4-[4-[6-amino-9-(2-methyl-3-pyridinyl)purin-2-yl]piperazin-1-yl]phenol;ethyl 2-[6-(benzimidazol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetate;ethyl 2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]acetate;4-[4-(6-indazol-1-yl-9-pyridin-3-ylpurin-2-yl)piperazin-1-yl]phenol;4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[6-amino-9-(2-methyl-3-pyridinyl)purin-2-yl]piperazin-1-yl]phenol;ethyl 2-[6-(benzimidazol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetate;ethyl 2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]acetate;4-[4-(6-indazol-1-yl-9-pyridin-3-ylpurin-2-yl)piperazin-1-yl]phenol;4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol
PubChem CID164987394
Molecular FormulaC128H121N41O9
Molecular Weight2377.65 g/mol
Exact Mass2376.03
IUPAC Name4-[4-[6-amino-9-(2-methyl-3-pyridinyl)purin-2-yl]piperazin-1-yl]phenol;ethyl 2-[6-(benzimidazol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetate;ethyl 2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]acetate;4-[4-(6-indazol-1-yl-9-pyridin-3-ylpurin-2-yl)piperazin-1-yl]phenol;4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol
SMILESCCOC(=O)Cn1cnc2c(-n3cnc4ccccc43)nc(N3CCN(c4ccc(O)cc4)CC3)nc21.CCOC(=O)Cn1cnc2c(-n3ncc4ccccc43)nc(N3CCN(c4ccc(O)cc4)CC3)nc21.Cc1ncccc1-n1cnc2c(N)nc(N3CCN(c4ccc(O)cc4)CC3)nc21.Oc1ccc(N2CCN(c3cc(-n4ncc5ccccc54)n4ncc(-c5cccnc5)c4n3)CC2)cc1.Oc1ccc(N2CCN(c3nc(-n4ncc5ccccc54)c4ncn(-c5cccnc5)c4n3)CC2)cc1
InChIInChI=1S/C28H24N8O.C27H23N9O.2C26H26N8O3.C21H22N8O/c37-23-9-7-22(8-10-23)33-12-14-34(15-13-33)26-16-27(35-25-6-2-1-4-21(25)18-30-35)36-28(32-26)24(19-31-36)20-5-3-11-29-17-20;37-22-9-7-20(8-10-22)33-12-14-34(15-13-33)27-31-25-24(29-18-35(25)21-5-3-11-28-17-21)26(32-27)36-23-6-2-1-4-19(23)16-30-36;1-2-37-22(36)15-33-16-28-23-24(33)29-26(30-25(23)34-17-27-20-5-3-4-6-21(20)34)32-13-11-31(12-14-32)18-7-9-19(35)10-8-18;1-2-37-22(36)16-33-17-27-23-24(33)29-26(30-25(23)34-21-6-4-3-5-18(21)15-28-34)32-13-11-31(12-14-32)19-7-9-20(35)10-8-19;1-14-17(3-2-8-23-14)29-13-24-18-19(22)25-21(26-20(18)29)28-11-9-27(10-12-28)15-4-6-16(30)7-5-15/h1-11,16-19,37H,12-15H2;1-11,16-18,37H,12-15H2;3-10,16-17,35H,2,11-15H2,1H3;3-10,15,17,35H,2,11-14,16H2,1H3;2-8,13,30H,9-12H2,1H3,(H2,22,25,26)
InChIKeyGIVXQVSNHFCNKJ-UHFFFAOYSA-N
XLogP15.40
TPSA526.71 Ų
H-Bond Donors6
H-Bond Acceptors50
Rotatable Bonds23
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002377.65
LogP ≤ 515.40
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1050

Analyze 4-[4-[6-amino-9-(2-methyl-3-pyridinyl)purin-2-yl]piperazin-1-yl]phenol;ethyl 2-[6-(benzimidazol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetate;ethyl 2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]acetate;4-[4-(6-indazol-1-yl-9-pyridin-3-ylpurin-2-yl)piperazin-1-yl]phenol;4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol with MolForge

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Related Compounds

6-(2-methoxybenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-methoxyphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine;N-(4-methylphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine;1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-amine;[(1S)-1-[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]ethyl] acetate
CID 161675130
2-[[6-[4-(difluoromethoxy)anilino]-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-yl]amino]ethanol;N-[4-(difluoromethoxy)phenyl]-2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;4-N-[4-(difluoromethoxy)phenyl]-6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;N-[4-(difluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine;2-[[2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethanol;N-[4-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine
CID 163612273
2-[2-[4-(4-Hydroxyphenyl)piperazin-1-yl]-6-indazol-2-ylpurin-9-yl]propanoic acid
CID 155102684
tert-butyl 2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-[3-(2H-tetrazol-5-yl)indazol-1-yl]purin-9-yl]acetate
CID 155102892
2-[2-[4-(4-Hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]-2-methylpropanoic acid
CID 155102903
Tert-butyl 2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-(3-prop-2-enylindazol-1-yl)purin-9-yl]acetate
CID 155102908
2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-[3-(2H-tetrazol-5-yl)indazol-1-yl]purin-9-yl]acetic acid
CID 155102920
Tert-butyl 2-[6-[3-(hydroxymethyl)indazol-1-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetate
CID 155102925
Tert-butyl 2-[6-[4-[(dimethylamino)methyl]indazol-1-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetate
CID 155102928
2-[2-[4-(4-Hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]propanoic acid
CID 155102938
2-[2-[4-(4-Hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]acetic acid
CID 155102947
2-[2-[4-(4-Hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]butanoic acid
CID 155102958

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-amino-9-(2-methyl-3-pyridinyl)purin-2-yl]piperazin-1-yl]phenol;ethyl 2-[6-(benzimidazol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetate;ethyl 2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]acetate;4-[4-(6-indazol-1-yl-9-pyridin-3-ylpurin-2-yl)piperazin-1-yl]phenol;4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol?
The IUPAC name of 4-[4-[6-amino-9-(2-methyl-3-pyridinyl)purin-2-yl]piperazin-1-yl]phenol;ethyl 2-[6-(benzimidazol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetate;ethyl 2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]acetate;4-[4-(6-indazol-1-yl-9-pyridin-3-ylpurin-2-yl)piperazin-1-yl]phenol;4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol (CID 164987394) is 4-[4-[6-amino-9-(2-methyl-3-pyridinyl)purin-2-yl]piperazin-1-yl]phenol;ethyl 2-[6-(benzimidazol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetate;ethyl 2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]acetate;4-[4-(6-indazol-1-yl-9-pyridin-3-ylpurin-2-yl)piperazin-1-yl]phenol;4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-[6-amino-9-(2-methyl-3-pyridinyl)purin-2-yl]piperazin-1-yl]phenol;ethyl 2-[6-(benzimidazol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetate;ethyl 2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]acetate;4-[4-(6-indazol-1-yl-9-pyridin-3-ylpurin-2-yl)piperazin-1-yl]phenol;4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-[6-amino-9-(2-methyl-3-pyridinyl)purin-2-yl]piperazin-1-yl]phenol;ethyl 2-[6-(benzimidazol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetate;ethyl 2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]acetate;4-[4-(6-indazol-1-yl-9-pyridin-3-ylpurin-2-yl)piperazin-1-yl]phenol;4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol is CCOC(=O)Cn1cnc2c(-n3cnc4ccccc43)nc(N3CCN(c4ccc(O)cc4)CC3)nc21.CCOC(=O)Cn1cnc2c(-n3ncc4ccccc43)nc(N3CCN(c4ccc(O)cc4)CC3)nc21.Cc1ncccc1-n1cnc2c(N)nc(N3CCN(c4ccc(O)cc4)CC3)nc21.Oc1ccc(N2CCN(c3cc(-n4ncc5ccccc54)n4ncc(-c5cccnc5)c4n3)CC2)cc1.Oc1ccc(N2CCN(c3nc(-n4ncc5ccccc54)c4ncn(-c5cccnc5)c4n3)CC2)cc1.
What is the InChIKey of 4-[4-[6-amino-9-(2-methyl-3-pyridinyl)purin-2-yl]piperazin-1-yl]phenol;ethyl 2-[6-(benzimidazol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetate;ethyl 2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]acetate;4-[4-(6-indazol-1-yl-9-pyridin-3-ylpurin-2-yl)piperazin-1-yl]phenol;4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol?
The InChIKey is GIVXQVSNHFCNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N8O.C27H23N9O.2C26H26N8O3.C21H22N8O/c37-23-9-7-22(8-10-23)33-12-14-34(15-13-33)26-16-27(35-25-6-2-1-4-21(25)18-30-35)36-28(32-26)24(19-31-36)20-5-3-11-29-17-20;37-22-9-7-20(8-10-22)33-12-14-34(15-13-33)27-31-25-24(29-18-35(25)21-5-3-11-28-17-21)26(32-27)36-23-6-2-1-4-19(23)16-30-36;1-2-37-22(36)15-33-16-28-23-24(33)29-26(30-25(23)34-17-27-20-5-3-4-6-21(20)34)32-13-11-31(12-14-32)18-7-9-19(35)10-8-18;1-2-37-22(36)16-33-17-27-23-24(33)29-26(30-25(23)34-21-6-4-3-5-18(21)15-28-34)32-13-11-31(12-14-32)19-7-9-20(35)10-8-19;1-14-17(3-2-8-23-14)29-13-24-18-19(22)25-21(26-20(18)29)28-11-9-27(10-12-28)15-4-6-16(30)7-5-15/h1-11,16-19,37H,12-15H2;1-11,16-18,37H,12-15H2;3-10,16-17,35H,2,11-15H2,1H3;3-10,15,17,35H,2,11-14,16H2,1H3;2-8,13,30H,9-12H2,1H3,(H2,22,25,26).
What are the key properties of 4-[4-[6-amino-9-(2-methyl-3-pyridinyl)purin-2-yl]piperazin-1-yl]phenol;ethyl 2-[6-(benzimidazol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetate;ethyl 2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]acetate;4-[4-(6-indazol-1-yl-9-pyridin-3-ylpurin-2-yl)piperazin-1-yl]phenol;4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol?
4-[4-[6-amino-9-(2-methyl-3-pyridinyl)purin-2-yl]piperazin-1-yl]phenol;ethyl 2-[6-(benzimidazol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetate;ethyl 2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]acetate;4-[4-(6-indazol-1-yl-9-pyridin-3-ylpurin-2-yl)piperazin-1-yl]phenol;4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol has a molecular weight of 2377.65 g/mol, XLogP of 15.40, 23 rotatable bonds, 6 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-amino-9-(2-methyl-3-pyridinyl)purin-2-yl]piperazin-1-yl]phenol;ethyl 2-[6-(benzimidazol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetate;ethyl 2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]acetate;4-[4-(6-indazol-1-yl-9-pyridin-3-ylpurin-2-yl)piperazin-1-yl]phenol;4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol is sourced from PubChem (CID 164987394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).