ethyl 1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-7-(2-hydroxyprop-2-enyl)purin-6-yl]indazole-3-carboxylate;2-[6-[4-(1-hydroxyethenyl)indazol-1-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetic acid;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-7-(2-hydroxyprop-2-enyl)purin-6-yl]indazol-3-yl]propan-1-one;2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-(3-propanoylindazol-1-yl)purin-9-yl]acetic acid

C109H106N32O15 — CID 165035526

IUPACethyl 1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-7-(2-hydroxyprop-2-enyl)purin-6-yl]indazole-3-carboxylate;2-[6-[4-(1-hydroxyethenyl)indazol-1-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetic acid;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-7-(2-hydroxyprop-2-enyl)purin-6-yl]indazol-3-yl]propan-1-one;2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-(3-propanoylindazol-1-yl)purin-9-yl]acetic acid
SMILESC=C(O)Cn1cnc2nc(N3CCN(c4ccc(O)cc4)CC3)nc(-n3nc(C(=O)CC)c4ccccc43)c21.C=C(O)Cn1cnc2nc(N3CCN(c4ccc(O)cc4)CC3)nc(-n3nc(C(=O)OCC)c4ccccc43)c21.C=C(O)c1cccc2c1cnn2-c1nc(N2CCN(c3ccc(O)cc3)CC2)nc2c1ncn2CC(=O)O.CCC(=O)c1nn(-c2nc(N3CCN(c4ccc(O)cc4)CC3)nc3c2ncn3CC(=O)O)c2ccccc12
InChIInChI=1S/C28H28N8O4.C28H28N8O3.C27H26N8O4.C26H24N8O4/c1-3-40-27(39)23-21-6-4-5-7-22(21)36(32-23)26-24-25(29-17-35(24)16-18(2)37)30-28(31-26)34-14-12-33(13-15-34)19-8-10-20(38)11-9-19;1-3-23(39)24-21-6-4-5-7-22(21)36(32-24)27-25-26(29-17-35(25)16-18(2)37)30-28(31-27)34-14-12-33(13-15-34)19-8-10-20(38)11-9-19;1-2-21(37)23-19-5-3-4-6-20(19)35(31-23)26-24-25(34(16-28-24)15-22(38)39)29-27(30-26)33-13-11-32(12-14-33)17-7-9-18(36)10-8-17;1-16(35)19-3-2-4-21-20(19)13-28-34(21)25-23-24(33(15-27-23)14-22(37)38)29-26(30-25)32-11-9-31(10-12-32)17-5-7-18(36)8-6-17/h4-11,17,37-38H,2-3,12-16H2,1H3;4-11,17,37-38H,2-3,12-16H2,1H3;3-10,16,36H,2,11-15H2,1H3,(H,38,39);2-8,13,15,35-36H,1,9-12,14H2,(H,37,38)
InChIKeyNIAFHJBGXYOZOY-UHFFFAOYSA-N
MW2104.26 g/mol
LogP12.99
Rot. Bonds27

About ethyl 1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-7-(2-hydroxyprop-2-enyl)purin-6-yl]indazole-3-carboxylate;2-[6-[4-(1-hydroxyethenyl)indazol-1-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetic acid;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-7-(2-hydroxyprop-2-enyl)purin-6-yl]indazol-3-yl]propan-1-one;2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-(3-propanoylindazol-1-yl)purin-9-yl]acetic acid

ethyl 1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-7-(2-hydroxyprop-2-enyl)purin-6-yl]indazole-3-carboxylate;2-[6-[4-(1-hydroxyethenyl)indazol-1-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetic acid;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-7-(2-hydroxyprop-2-enyl)purin-6-yl]indazol-3-yl]propan-1-one;2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-(3-propanoylindazol-1-yl)purin-9-yl]acetic acid (PubChem CID 165035526) has the molecular formula C109H106N32O15 and a molecular weight of 2104.26 g/mol. Its IUPAC name is ethyl 1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-7-(2-hydroxyprop-2-enyl)purin-6-yl]indazole-3-carboxylate;2-[6-[4-(1-hydroxyethenyl)indazol-1-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetic acid;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-7-(2-hydroxyprop-2-enyl)purin-6-yl]indazol-3-yl]propan-1-one;2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-(3-propanoylindazol-1-yl)purin-9-yl]acetic acid.

Molecular Properties

Compound Nameethyl 1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-7-(2-hydroxyprop-2-enyl)purin-6-yl]indazole-3-carboxylate;2-[6-[4-(1-hydroxyethenyl)indazol-1-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetic acid;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-7-(2-hydroxyprop-2-enyl)purin-6-yl]indazol-3-yl]propan-1-one;2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-(3-propanoylindazol-1-yl)purin-9-yl]acetic acid
PubChem CID165035526
Molecular FormulaC109H106N32O15
Molecular Weight2104.26 g/mol
Exact Mass2102.85
IUPAC Nameethyl 1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-7-(2-hydroxyprop-2-enyl)purin-6-yl]indazole-3-carboxylate;2-[6-[4-(1-hydroxyethenyl)indazol-1-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetic acid;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-7-(2-hydroxyprop-2-enyl)purin-6-yl]indazol-3-yl]propan-1-one;2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-(3-propanoylindazol-1-yl)purin-9-yl]acetic acid
SMILESC=C(O)Cn1cnc2nc(N3CCN(c4ccc(O)cc4)CC3)nc(-n3nc(C(=O)CC)c4ccccc43)c21.C=C(O)Cn1cnc2nc(N3CCN(c4ccc(O)cc4)CC3)nc(-n3nc(C(=O)OCC)c4ccccc43)c21.C=C(O)c1cccc2c1cnn2-c1nc(N2CCN(c3ccc(O)cc3)CC2)nc2c1ncn2CC(=O)O.CCC(=O)c1nn(-c2nc(N3CCN(c4ccc(O)cc4)CC3)nc3c2ncn3CC(=O)O)c2ccccc12
InChIInChI=1S/C28H28N8O4.C28H28N8O3.C27H26N8O4.C26H24N8O4/c1-3-40-27(39)23-21-6-4-5-7-22(21)36(32-23)26-24-25(29-17-35(24)16-18(2)37)30-28(31-26)34-14-12-33(13-15-34)19-8-10-20(38)11-9-19;1-3-23(39)24-21-6-4-5-7-22(21)36(32-24)27-25-26(29-17-35(25)16-18(2)37)30-28(31-27)34-14-12-33(13-15-34)19-8-10-20(38)11-9-19;1-2-21(37)23-19-5-3-4-6-20(19)35(31-23)26-24-25(34(16-28-24)15-22(38)39)29-27(30-26)33-13-11-32(12-14-33)17-7-9-18(36)10-8-17;1-16(35)19-3-2-4-21-20(19)13-28-34(21)25-23-24(33(15-27-23)14-22(37)38)29-26(30-25)32-11-9-31(10-12-32)17-5-7-18(36)8-6-17/h4-11,17,37-38H,2-3,12-16H2,1H3;4-11,17,37-38H,2-3,12-16H2,1H3;3-10,16,36H,2,11-15H2,1H3,(H,38,39);2-8,13,15,35-36H,1,9-12,14H2,(H,37,38)
InChIKeyNIAFHJBGXYOZOY-UHFFFAOYSA-N
XLogP12.99
TPSA548.25 Ų
H-Bond Donors9
H-Bond Acceptors45
Rotatable Bonds27
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002104.26
LogP ≤ 512.99
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze ethyl 1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-7-(2-hydroxyprop-2-enyl)purin-6-yl]indazole-3-carboxylate;2-[6-[4-(1-hydroxyethenyl)indazol-1-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetic acid;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-7-(2-hydroxyprop-2-enyl)purin-6-yl]indazol-3-yl]propan-1-one;2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-(3-propanoylindazol-1-yl)purin-9-yl]acetic acid with MolForge

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Related Compounds

1-[4-(4,6-Dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(5-fluoro-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(3-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone
CID 157243843
2-[3-(4-Hydroxyphenyl)quinolin-7-yl]-1-(2-methylpyrazol-3-yl)ethanone;1-(1-methylimidazol-2-yl)-2-(3-phenylquinolin-7-yl)ethanone;2-[3-(4-methylphenyl)quinolin-7-yl]-1-(2-methylpyrazol-3-yl)ethanone;1-(2-methylpyrazol-3-yl)-2-[3-(3-morpholin-4-ylphenyl)quinolin-7-yl]ethanone;1-(2-methylpyrazol-3-yl)-2-[3-[2-(trifluoromethyl)phenyl]quinolin-7-yl]ethanone;1-(2-methyl-1,2,4-triazol-3-yl)-2-(3-phenylquinolin-7-yl)ethanone
CID 161100958
6-(3-benzyl-2-ethyl-5-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-[6-[4-(difluoromethoxy)anilino]-4-methoxy-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid;6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-[4-methoxy-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylic acid;N-[4-(trifluoromethyl)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-amine
CID 161133385
2-[6-(3-Ethoxycarbonylindazol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetic acid
CID 155102887
Ethyl 1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]purin-6-yl]indazole-3-carboxylate
CID 155102901
Ethyl 1-[9-(2-ethoxy-2-oxoethyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-6-yl]indazole-3-carboxylate
CID 155103031
1-[9-(Carboxymethyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-6-yl]indazole-4-carboxylic acid
CID 155103037
2-Hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]cinnolin-7-yl)benzoic acid;2-hydroxy-5-(8-phenyl-5,6-dihydropyrrolo[2,3-h]quinazolin-7-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid
CID 157167666
4,12-Bis(5-phenylpyridazino[4,3-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(5-phenylpyrimido[5,4-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenylpyridazino[4,3-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-(9-phenylcarbazol-2-yl)-12-(5-phenylpyrimido[5,4-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 157221104
4-Hydroxypent-3-en-2-one;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-(1-phenylbenzimidazol-2-yl)phenol;pentakis(2-phenylpyridine);pyridine-2-carboxylic acid;tetrakis(rhodium);rhodium(2+)
CID 157456710
2-(4-acetylpiperazin-1-yl)-6-(2-methylpropyl)pyridine-4-carboxylic acid;1-[2-(dimethylamino)ethyl]-4-propan-2-ylindole-6-carboxylic acid;1-methyl-7-propan-2-ylindazole-3-carboxylic acid;2-methyl-7-propan-2-ylindazole-3-carboxylic acid;1-methyl-7-propan-2-yl-3-(3H-1,2,4-triazol-5-yl)indole;2-(2-methylpropyl)-6-piperidin-1-ylpyridine-4-carboxylic acid;2-(2-morpholin-4-ylethyl)-7-propan-2-ylindazole-5-carboxylic acid
CID 157480902
4,12-Bis(5-phenyl-[1,2,4]triazino[5,6-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(5-phenyltriazino[5,4-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenyl-[1,2,4]triazino[6,5-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-bis(9-phenyltriazino[4,5-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 157537222

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-7-(2-hydroxyprop-2-enyl)purin-6-yl]indazole-3-carboxylate;2-[6-[4-(1-hydroxyethenyl)indazol-1-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetic acid;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-7-(2-hydroxyprop-2-enyl)purin-6-yl]indazol-3-yl]propan-1-one;2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-(3-propanoylindazol-1-yl)purin-9-yl]acetic acid?
The IUPAC name of ethyl 1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-7-(2-hydroxyprop-2-enyl)purin-6-yl]indazole-3-carboxylate;2-[6-[4-(1-hydroxyethenyl)indazol-1-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetic acid;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-7-(2-hydroxyprop-2-enyl)purin-6-yl]indazol-3-yl]propan-1-one;2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-(3-propanoylindazol-1-yl)purin-9-yl]acetic acid (CID 165035526) is ethyl 1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-7-(2-hydroxyprop-2-enyl)purin-6-yl]indazole-3-carboxylate;2-[6-[4-(1-hydroxyethenyl)indazol-1-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetic acid;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-7-(2-hydroxyprop-2-enyl)purin-6-yl]indazol-3-yl]propan-1-one;2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-(3-propanoylindazol-1-yl)purin-9-yl]acetic acid.
What is the SMILES notation for ethyl 1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-7-(2-hydroxyprop-2-enyl)purin-6-yl]indazole-3-carboxylate;2-[6-[4-(1-hydroxyethenyl)indazol-1-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetic acid;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-7-(2-hydroxyprop-2-enyl)purin-6-yl]indazol-3-yl]propan-1-one;2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-(3-propanoylindazol-1-yl)purin-9-yl]acetic acid?
The canonical SMILES for ethyl 1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-7-(2-hydroxyprop-2-enyl)purin-6-yl]indazole-3-carboxylate;2-[6-[4-(1-hydroxyethenyl)indazol-1-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetic acid;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-7-(2-hydroxyprop-2-enyl)purin-6-yl]indazol-3-yl]propan-1-one;2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-(3-propanoylindazol-1-yl)purin-9-yl]acetic acid is C=C(O)Cn1cnc2nc(N3CCN(c4ccc(O)cc4)CC3)nc(-n3nc(C(=O)CC)c4ccccc43)c21.C=C(O)Cn1cnc2nc(N3CCN(c4ccc(O)cc4)CC3)nc(-n3nc(C(=O)OCC)c4ccccc43)c21.C=C(O)c1cccc2c1cnn2-c1nc(N2CCN(c3ccc(O)cc3)CC2)nc2c1ncn2CC(=O)O.CCC(=O)c1nn(-c2nc(N3CCN(c4ccc(O)cc4)CC3)nc3c2ncn3CC(=O)O)c2ccccc12.
What is the InChIKey of ethyl 1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-7-(2-hydroxyprop-2-enyl)purin-6-yl]indazole-3-carboxylate;2-[6-[4-(1-hydroxyethenyl)indazol-1-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetic acid;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-7-(2-hydroxyprop-2-enyl)purin-6-yl]indazol-3-yl]propan-1-one;2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-(3-propanoylindazol-1-yl)purin-9-yl]acetic acid?
The InChIKey is NIAFHJBGXYOZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N8O4.C28H28N8O3.C27H26N8O4.C26H24N8O4/c1-3-40-27(39)23-21-6-4-5-7-22(21)36(32-23)26-24-25(29-17-35(24)16-18(2)37)30-28(31-26)34-14-12-33(13-15-34)19-8-10-20(38)11-9-19;1-3-23(39)24-21-6-4-5-7-22(21)36(32-24)27-25-26(29-17-35(25)16-18(2)37)30-28(31-27)34-14-12-33(13-15-34)19-8-10-20(38)11-9-19;1-2-21(37)23-19-5-3-4-6-20(19)35(31-23)26-24-25(34(16-28-24)15-22(38)39)29-27(30-26)33-13-11-32(12-14-33)17-7-9-18(36)10-8-17;1-16(35)19-3-2-4-21-20(19)13-28-34(21)25-23-24(33(15-27-23)14-22(37)38)29-26(30-25)32-11-9-31(10-12-32)17-5-7-18(36)8-6-17/h4-11,17,37-38H,2-3,12-16H2,1H3;4-11,17,37-38H,2-3,12-16H2,1H3;3-10,16,36H,2,11-15H2,1H3,(H,38,39);2-8,13,15,35-36H,1,9-12,14H2,(H,37,38).
What are the key properties of ethyl 1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-7-(2-hydroxyprop-2-enyl)purin-6-yl]indazole-3-carboxylate;2-[6-[4-(1-hydroxyethenyl)indazol-1-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetic acid;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-7-(2-hydroxyprop-2-enyl)purin-6-yl]indazol-3-yl]propan-1-one;2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-(3-propanoylindazol-1-yl)purin-9-yl]acetic acid?
ethyl 1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-7-(2-hydroxyprop-2-enyl)purin-6-yl]indazole-3-carboxylate;2-[6-[4-(1-hydroxyethenyl)indazol-1-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetic acid;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-7-(2-hydroxyprop-2-enyl)purin-6-yl]indazol-3-yl]propan-1-one;2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-(3-propanoylindazol-1-yl)purin-9-yl]acetic acid has a molecular weight of 2104.26 g/mol, XLogP of 12.99, 27 rotatable bonds, 9 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-7-(2-hydroxyprop-2-enyl)purin-6-yl]indazole-3-carboxylate;2-[6-[4-(1-hydroxyethenyl)indazol-1-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetic acid;1-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-7-(2-hydroxyprop-2-enyl)purin-6-yl]indazol-3-yl]propan-1-one;2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-(3-propanoylindazol-1-yl)purin-9-yl]acetic acid is sourced from PubChem (CID 165035526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).