4-[4-[6-amino-9-(2-methylphenyl)purin-2-yl]piperazin-1-yl]phenol;4-[4-[6-amino-9-(3-methylphenyl)purin-2-yl]piperazin-1-yl]phenol;4-[4-[6-amino-9-(3-phenylphenyl)purin-2-yl]piperazin-1-yl]phenol;ethyl 2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]acetate;4-[4-(8-pyridin-3-ylpyrrolo[1,2-a]pyrimidin-2-yl)piperazin-1-yl]phenol

C119H118N34O7 — CID 164966816

IUPAC4-[4-[6-amino-9-(2-methylphenyl)purin-2-yl]piperazin-1-yl]phenol;4-[4-[6-amino-9-(3-methylphenyl)purin-2-yl]piperazin-1-yl]phenol;4-[4-[6-amino-9-(3-phenylphenyl)purin-2-yl]piperazin-1-yl]phenol;ethyl 2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]acetate;4-[4-(8-pyridin-3-ylpyrrolo[1,2-a]pyrimidin-2-yl)piperazin-1-yl]phenol
SMILESCCOC(=O)Cn1cnc2c(-n3ncc4ccccc43)nc(N3CCN(c4ccc(O)cc4)CC3)nc21.Cc1cccc(-n2cnc3c(N)nc(N4CCN(c5ccc(O)cc5)CC4)nc32)c1.Cc1ccccc1-n1cnc2c(N)nc(N3CCN(c4ccc(O)cc4)CC3)nc21.Nc1nc(N2CCN(c3ccc(O)cc3)CC2)nc2c1ncn2-c1cccc(-c2ccccc2)c1.Oc1ccc(N2CCN(c3ccn4ccc(-c5cccnc5)c4n3)CC2)cc1
InChIInChI=1S/C27H25N7O.C26H26N8O3.2C22H23N7O.C22H21N5O/c28-25-24-26(34(18-29-24)22-8-4-7-20(17-22)19-5-2-1-3-6-19)31-27(30-25)33-15-13-32(14-16-33)21-9-11-23(35)12-10-21;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;1-15-3-2-4-17(13-15)29-14-24-19-20(23)25-22(26-21(19)29)28-11-9-27(10-12-28)16-5-7-18(30)8-6-16;1-15-4-2-3-5-18(15)29-14-24-19-20(23)25-22(26-21(19)29)28-12-10-27(11-13-28)16-6-8-17(30)9-7-16;28-19-5-3-18(4-6-19)25-12-14-26(15-13-25)21-8-11-27-10-7-20(22(27)24-21)17-2-1-9-23-16-17/h1-12,17-18,35H,13-16H2,(H2,28,30,31);3-10,15,17,35H,2,11-14,16H2,1H3;2-8,13-14,30H,9-12H2,1H3,(H2,23,25,26);2-9,14,30H,10-13H2,1H3,(H2,23,25,26);1-11,16,28H,12-15H2
InChIKeyCOZDITHAYBQONC-UHFFFAOYSA-N
MW2136.48 g/mol
LogP15.76
Rot. Bonds19

About 4-[4-[6-amino-9-(2-methylphenyl)purin-2-yl]piperazin-1-yl]phenol;4-[4-[6-amino-9-(3-methylphenyl)purin-2-yl]piperazin-1-yl]phenol;4-[4-[6-amino-9-(3-phenylphenyl)purin-2-yl]piperazin-1-yl]phenol;ethyl 2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]acetate;4-[4-(8-pyridin-3-ylpyrrolo[1,2-a]pyrimidin-2-yl)piperazin-1-yl]phenol

4-[4-[6-amino-9-(2-methylphenyl)purin-2-yl]piperazin-1-yl]phenol;4-[4-[6-amino-9-(3-methylphenyl)purin-2-yl]piperazin-1-yl]phenol;4-[4-[6-amino-9-(3-phenylphenyl)purin-2-yl]piperazin-1-yl]phenol;ethyl 2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]acetate;4-[4-(8-pyridin-3-ylpyrrolo[1,2-a]pyrimidin-2-yl)piperazin-1-yl]phenol (PubChem CID 164966816) has the molecular formula C119H118N34O7 and a molecular weight of 2136.48 g/mol. Its IUPAC name is 4-[4-[6-amino-9-(2-methylphenyl)purin-2-yl]piperazin-1-yl]phenol;4-[4-[6-amino-9-(3-methylphenyl)purin-2-yl]piperazin-1-yl]phenol;4-[4-[6-amino-9-(3-phenylphenyl)purin-2-yl]piperazin-1-yl]phenol;ethyl 2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]acetate;4-[4-(8-pyridin-3-ylpyrrolo[1,2-a]pyrimidin-2-yl)piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[6-amino-9-(2-methylphenyl)purin-2-yl]piperazin-1-yl]phenol;4-[4-[6-amino-9-(3-methylphenyl)purin-2-yl]piperazin-1-yl]phenol;4-[4-[6-amino-9-(3-phenylphenyl)purin-2-yl]piperazin-1-yl]phenol;ethyl 2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]acetate;4-[4-(8-pyridin-3-ylpyrrolo[1,2-a]pyrimidin-2-yl)piperazin-1-yl]phenol
PubChem CID164966816
Molecular FormulaC119H118N34O7
Molecular Weight2136.48 g/mol
Exact Mass2134.99
IUPAC Name4-[4-[6-amino-9-(2-methylphenyl)purin-2-yl]piperazin-1-yl]phenol;4-[4-[6-amino-9-(3-methylphenyl)purin-2-yl]piperazin-1-yl]phenol;4-[4-[6-amino-9-(3-phenylphenyl)purin-2-yl]piperazin-1-yl]phenol;ethyl 2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]acetate;4-[4-(8-pyridin-3-ylpyrrolo[1,2-a]pyrimidin-2-yl)piperazin-1-yl]phenol
SMILESCCOC(=O)Cn1cnc2c(-n3ncc4ccccc43)nc(N3CCN(c4ccc(O)cc4)CC3)nc21.Cc1cccc(-n2cnc3c(N)nc(N4CCN(c5ccc(O)cc5)CC4)nc32)c1.Cc1ccccc1-n1cnc2c(N)nc(N3CCN(c4ccc(O)cc4)CC3)nc21.Nc1nc(N2CCN(c3ccc(O)cc3)CC2)nc2c1ncn2-c1cccc(-c2ccccc2)c1.Oc1ccc(N2CCN(c3ccn4ccc(-c5cccnc5)c4n3)CC2)cc1
InChIInChI=1S/C27H25N7O.C26H26N8O3.2C22H23N7O.C22H21N5O/c28-25-24-26(34(18-29-24)22-8-4-7-20(17-22)19-5-2-1-3-6-19)31-27(30-25)33-15-13-32(14-16-33)21-9-11-23(35)12-10-21;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;1-15-3-2-4-17(13-15)29-14-24-19-20(23)25-22(26-21(19)29)28-11-9-27(10-12-28)16-5-7-18(30)8-6-16;1-15-4-2-3-5-18(15)29-14-24-19-20(23)25-22(26-21(19)29)28-12-10-27(11-13-28)16-6-8-17(30)9-7-16;28-19-5-3-18(4-6-19)25-12-14-26(15-13-25)21-8-11-27-10-7-20(22(27)24-21)17-2-1-9-23-16-17/h1-12,17-18,35H,13-16H2,(H2,28,30,31);3-10,15,17,35H,2,11-14,16H2,1H3;2-8,13-14,30H,9-12H2,1H3,(H2,23,25,26);2-9,14,30H,10-13H2,1H3,(H2,23,25,26);1-11,16,28H,12-15H2
InChIKeyCOZDITHAYBQONC-UHFFFAOYSA-N
XLogP15.76
TPSA460.32 Ų
H-Bond Donors8
H-Bond Acceptors41
Rotatable Bonds19
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002136.48
LogP ≤ 515.76
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1041

Analyze 4-[4-[6-amino-9-(2-methylphenyl)purin-2-yl]piperazin-1-yl]phenol;4-[4-[6-amino-9-(3-methylphenyl)purin-2-yl]piperazin-1-yl]phenol;4-[4-[6-amino-9-(3-phenylphenyl)purin-2-yl]piperazin-1-yl]phenol;ethyl 2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]acetate;4-[4-(8-pyridin-3-ylpyrrolo[1,2-a]pyrimidin-2-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-[6-[6-(Hydroxymethyl)indazol-1-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetic acid
CID 155102912
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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-amino-9-(2-methylphenyl)purin-2-yl]piperazin-1-yl]phenol;4-[4-[6-amino-9-(3-methylphenyl)purin-2-yl]piperazin-1-yl]phenol;4-[4-[6-amino-9-(3-phenylphenyl)purin-2-yl]piperazin-1-yl]phenol;ethyl 2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]acetate;4-[4-(8-pyridin-3-ylpyrrolo[1,2-a]pyrimidin-2-yl)piperazin-1-yl]phenol?
The IUPAC name of 4-[4-[6-amino-9-(2-methylphenyl)purin-2-yl]piperazin-1-yl]phenol;4-[4-[6-amino-9-(3-methylphenyl)purin-2-yl]piperazin-1-yl]phenol;4-[4-[6-amino-9-(3-phenylphenyl)purin-2-yl]piperazin-1-yl]phenol;ethyl 2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]acetate;4-[4-(8-pyridin-3-ylpyrrolo[1,2-a]pyrimidin-2-yl)piperazin-1-yl]phenol (CID 164966816) is 4-[4-[6-amino-9-(2-methylphenyl)purin-2-yl]piperazin-1-yl]phenol;4-[4-[6-amino-9-(3-methylphenyl)purin-2-yl]piperazin-1-yl]phenol;4-[4-[6-amino-9-(3-phenylphenyl)purin-2-yl]piperazin-1-yl]phenol;ethyl 2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]acetate;4-[4-(8-pyridin-3-ylpyrrolo[1,2-a]pyrimidin-2-yl)piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-[6-amino-9-(2-methylphenyl)purin-2-yl]piperazin-1-yl]phenol;4-[4-[6-amino-9-(3-methylphenyl)purin-2-yl]piperazin-1-yl]phenol;4-[4-[6-amino-9-(3-phenylphenyl)purin-2-yl]piperazin-1-yl]phenol;ethyl 2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]acetate;4-[4-(8-pyridin-3-ylpyrrolo[1,2-a]pyrimidin-2-yl)piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-[6-amino-9-(2-methylphenyl)purin-2-yl]piperazin-1-yl]phenol;4-[4-[6-amino-9-(3-methylphenyl)purin-2-yl]piperazin-1-yl]phenol;4-[4-[6-amino-9-(3-phenylphenyl)purin-2-yl]piperazin-1-yl]phenol;ethyl 2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]acetate;4-[4-(8-pyridin-3-ylpyrrolo[1,2-a]pyrimidin-2-yl)piperazin-1-yl]phenol is CCOC(=O)Cn1cnc2c(-n3ncc4ccccc43)nc(N3CCN(c4ccc(O)cc4)CC3)nc21.Cc1cccc(-n2cnc3c(N)nc(N4CCN(c5ccc(O)cc5)CC4)nc32)c1.Cc1ccccc1-n1cnc2c(N)nc(N3CCN(c4ccc(O)cc4)CC3)nc21.Nc1nc(N2CCN(c3ccc(O)cc3)CC2)nc2c1ncn2-c1cccc(-c2ccccc2)c1.Oc1ccc(N2CCN(c3ccn4ccc(-c5cccnc5)c4n3)CC2)cc1.
What is the InChIKey of 4-[4-[6-amino-9-(2-methylphenyl)purin-2-yl]piperazin-1-yl]phenol;4-[4-[6-amino-9-(3-methylphenyl)purin-2-yl]piperazin-1-yl]phenol;4-[4-[6-amino-9-(3-phenylphenyl)purin-2-yl]piperazin-1-yl]phenol;ethyl 2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]acetate;4-[4-(8-pyridin-3-ylpyrrolo[1,2-a]pyrimidin-2-yl)piperazin-1-yl]phenol?
The InChIKey is COZDITHAYBQONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O.C26H26N8O3.2C22H23N7O.C22H21N5O/c28-25-24-26(34(18-29-24)22-8-4-7-20(17-22)19-5-2-1-3-6-19)31-27(30-25)33-15-13-32(14-16-33)21-9-11-23(35)12-10-21;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;1-15-3-2-4-17(13-15)29-14-24-19-20(23)25-22(26-21(19)29)28-11-9-27(10-12-28)16-5-7-18(30)8-6-16;1-15-4-2-3-5-18(15)29-14-24-19-20(23)25-22(26-21(19)29)28-12-10-27(11-13-28)16-6-8-17(30)9-7-16;28-19-5-3-18(4-6-19)25-12-14-26(15-13-25)21-8-11-27-10-7-20(22(27)24-21)17-2-1-9-23-16-17/h1-12,17-18,35H,13-16H2,(H2,28,30,31);3-10,15,17,35H,2,11-14,16H2,1H3;2-8,13-14,30H,9-12H2,1H3,(H2,23,25,26);2-9,14,30H,10-13H2,1H3,(H2,23,25,26);1-11,16,28H,12-15H2.
What are the key properties of 4-[4-[6-amino-9-(2-methylphenyl)purin-2-yl]piperazin-1-yl]phenol;4-[4-[6-amino-9-(3-methylphenyl)purin-2-yl]piperazin-1-yl]phenol;4-[4-[6-amino-9-(3-phenylphenyl)purin-2-yl]piperazin-1-yl]phenol;ethyl 2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]acetate;4-[4-(8-pyridin-3-ylpyrrolo[1,2-a]pyrimidin-2-yl)piperazin-1-yl]phenol?
4-[4-[6-amino-9-(2-methylphenyl)purin-2-yl]piperazin-1-yl]phenol;4-[4-[6-amino-9-(3-methylphenyl)purin-2-yl]piperazin-1-yl]phenol;4-[4-[6-amino-9-(3-phenylphenyl)purin-2-yl]piperazin-1-yl]phenol;ethyl 2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]acetate;4-[4-(8-pyridin-3-ylpyrrolo[1,2-a]pyrimidin-2-yl)piperazin-1-yl]phenol has a molecular weight of 2136.48 g/mol, XLogP of 15.76, 19 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-amino-9-(2-methylphenyl)purin-2-yl]piperazin-1-yl]phenol;4-[4-[6-amino-9-(3-methylphenyl)purin-2-yl]piperazin-1-yl]phenol;4-[4-[6-amino-9-(3-phenylphenyl)purin-2-yl]piperazin-1-yl]phenol;ethyl 2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]acetate;4-[4-(8-pyridin-3-ylpyrrolo[1,2-a]pyrimidin-2-yl)piperazin-1-yl]phenol is sourced from PubChem (CID 164966816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).