3-[6-(2,3-dihydroindol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]propanoic acid;4-[4-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;4-[4-[6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methyl-5,6-dihydropurin-9-yl]pyridazin-4-yl]piperazin-1-yl]phenol;4-[4-[9-(3-hydroxypropyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;4-[4-(6-methyl-9-phenylpurin-2-yl)piperazin-1-yl]phenol

C127H133N39O10 — CID 164993961

IUPAC3-[6-(2,3-dihydroindol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]propanoic acid;4-[4-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;4-[4-[6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methyl-5,6-dihydropurin-9-yl]pyridazin-4-yl]piperazin-1-yl]phenol;4-[4-[9-(3-hydroxypropyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;4-[4-(6-methyl-9-phenylpurin-2-yl)piperazin-1-yl]phenol
SMILESCC1N=C(N2CCN(c3ccc(O)cc3)CC2)N=C2C1N=CN2c1cc(N2CCN(c3ccc(O)cc3)CC2)cnn1.Cc1nc(N2CCN(c3ccc(O)cc3)CC2)nc2c1ncn2-c1ccccc1.O=C(O)CCn1cnc2c(N3CCc4ccccc43)nc(N3CCN(c4ccc(O)cc4)CC3)nc21.OCCCn1cnc2c(-n3ncc4ccccc43)nc(N3CCN(c4ccc(O)cc4)CC3)nc21.OCCn1cnc2c(-n3ncc4ccccc43)nc(N3CCN(c4ccc(O)cc4)CC3)nc21
InChIInChI=1S/C30H34N10O2.C26H27N7O3.C25H26N8O2.C24H24N8O2.C22H22N6O/c1-21-28-29(34-30(33-21)39-16-14-37(15-17-39)23-4-8-26(42)9-5-23)40(20-31-28)27-18-24(19-32-35-27)38-12-10-36(11-13-38)22-2-6-25(41)7-3-22;34-20-7-5-19(6-8-20)30-13-15-31(16-14-30)26-28-24-23(27-17-32(24)11-10-22(35)36)25(29-26)33-12-9-18-3-1-2-4-21(18)33;34-15-3-10-32-17-26-22-23(32)28-25(29-24(22)33-21-5-2-1-4-18(21)16-27-33)31-13-11-30(12-14-31)19-6-8-20(35)9-7-19;33-14-13-31-16-25-21-22(31)27-24(28-23(21)32-20-4-2-1-3-17(20)15-26-32)30-11-9-29(10-12-30)18-5-7-19(34)8-6-18;1-16-20-21(28(15-23-20)18-5-3-2-4-6-18)25-22(24-16)27-13-11-26(12-14-27)17-7-9-19(29)10-8-17/h2-9,18-21,28,41-42H,10-17H2,1H3;1-8,17,34H,9-16H2,(H,35,36);1-2,4-9,16-17,34-35H,3,10-15H2;1-8,15-16,33-34H,9-14H2;2-10,15,29H,11-14H2,1H3
InChIKeyHGWXULGCRKUKRG-UHFFFAOYSA-N
MW2365.72 g/mol
LogP13.36
Rot. Bonds24

About 3-[6-(2,3-dihydroindol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]propanoic acid;4-[4-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;4-[4-[6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methyl-5,6-dihydropurin-9-yl]pyridazin-4-yl]piperazin-1-yl]phenol;4-[4-[9-(3-hydroxypropyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;4-[4-(6-methyl-9-phenylpurin-2-yl)piperazin-1-yl]phenol

3-[6-(2,3-dihydroindol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]propanoic acid;4-[4-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;4-[4-[6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methyl-5,6-dihydropurin-9-yl]pyridazin-4-yl]piperazin-1-yl]phenol;4-[4-[9-(3-hydroxypropyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;4-[4-(6-methyl-9-phenylpurin-2-yl)piperazin-1-yl]phenol (PubChem CID 164993961) has the molecular formula C127H133N39O10 and a molecular weight of 2365.72 g/mol. Its IUPAC name is 3-[6-(2,3-dihydroindol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]propanoic acid;4-[4-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;4-[4-[6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methyl-5,6-dihydropurin-9-yl]pyridazin-4-yl]piperazin-1-yl]phenol;4-[4-[9-(3-hydroxypropyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;4-[4-(6-methyl-9-phenylpurin-2-yl)piperazin-1-yl]phenol.

Molecular Properties

Compound Name3-[6-(2,3-dihydroindol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]propanoic acid;4-[4-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;4-[4-[6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methyl-5,6-dihydropurin-9-yl]pyridazin-4-yl]piperazin-1-yl]phenol;4-[4-[9-(3-hydroxypropyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;4-[4-(6-methyl-9-phenylpurin-2-yl)piperazin-1-yl]phenol
PubChem CID164993961
Molecular FormulaC127H133N39O10
Molecular Weight2365.72 g/mol
Exact Mass2364.11
IUPAC Name3-[6-(2,3-dihydroindol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]propanoic acid;4-[4-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;4-[4-[6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methyl-5,6-dihydropurin-9-yl]pyridazin-4-yl]piperazin-1-yl]phenol;4-[4-[9-(3-hydroxypropyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;4-[4-(6-methyl-9-phenylpurin-2-yl)piperazin-1-yl]phenol
SMILESCC1N=C(N2CCN(c3ccc(O)cc3)CC2)N=C2C1N=CN2c1cc(N2CCN(c3ccc(O)cc3)CC2)cnn1.Cc1nc(N2CCN(c3ccc(O)cc3)CC2)nc2c1ncn2-c1ccccc1.O=C(O)CCn1cnc2c(N3CCc4ccccc43)nc(N3CCN(c4ccc(O)cc4)CC3)nc21.OCCCn1cnc2c(-n3ncc4ccccc43)nc(N3CCN(c4ccc(O)cc4)CC3)nc21.OCCn1cnc2c(-n3ncc4ccccc43)nc(N3CCN(c4ccc(O)cc4)CC3)nc21
InChIInChI=1S/C30H34N10O2.C26H27N7O3.C25H26N8O2.C24H24N8O2.C22H22N6O/c1-21-28-29(34-30(33-21)39-16-14-37(15-17-39)23-4-8-26(42)9-5-23)40(20-31-28)27-18-24(19-32-35-27)38-12-10-36(11-13-38)22-2-6-25(41)7-3-22;34-20-7-5-19(6-8-20)30-13-15-31(16-14-30)26-28-24-23(27-17-32(24)11-10-22(35)36)25(29-26)33-12-9-18-3-1-2-4-21(18)33;34-15-3-10-32-17-26-22-23(32)28-25(29-24(22)33-21-5-2-1-4-18(21)16-27-33)31-13-11-30(12-14-31)19-6-8-20(35)9-7-19;33-14-13-31-16-25-21-22(31)27-24(28-23(21)32-20-4-2-1-3-17(20)15-26-32)30-11-9-29(10-12-30)18-5-7-19(34)8-6-18;1-16-20-21(28(15-23-20)18-5-3-2-4-6-18)25-22(24-16)27-13-11-26(12-14-27)17-7-9-19(29)10-8-17/h2-9,18-21,28,41-42H,10-17H2,1H3;1-8,17,34H,9-16H2,(H,35,36);1-2,4-9,16-17,34-35H,3,10-15H2;1-8,15-16,33-34H,9-14H2;2-10,15,29H,11-14H2,1H3
InChIKeyHGWXULGCRKUKRG-UHFFFAOYSA-N
XLogP13.36
TPSA517.40 Ų
H-Bond Donors9
H-Bond Acceptors48
Rotatable Bonds24
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002365.72
LogP ≤ 513.36
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1048

Analyze 3-[6-(2,3-dihydroindol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]propanoic acid;4-[4-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;4-[4-[6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methyl-5,6-dihydropurin-9-yl]pyridazin-4-yl]piperazin-1-yl]phenol;4-[4-[9-(3-hydroxypropyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;4-[4-(6-methyl-9-phenylpurin-2-yl)piperazin-1-yl]phenol with MolForge

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Related Compounds

2-(4-Fluorophenyl)-2-[2-[4-[3-[[4-[3-[[4-[4-[4-[5-[1-(4-fluorophenyl)-1-hydroxyethyl]pyrimidin-2-yl]-3-methylpiperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]methyl]-4-[4-[5-[2-(4-fluorophenyl)-1-hydroxypropan-2-yl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-3-ium-6-yl]pyrazol-1-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-3-ium-4-yl]piperazin-1-yl]pyrimidin-5-yl]propan-1-ol
CID 123217151
2-[2-[4-(4-Hydroxyphenyl)piperazin-1-yl]-6-indazol-2-ylpurin-9-yl]propanoic acid
CID 155102684
4-[2-[4-(4-Hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]butanoic acid
CID 155102818
4-[4-[9-(2-Hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol
CID 155102896
2-[2-[4-(4-Hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]-2-methylpropanoic acid
CID 155102903
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
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
2-[6-[4-(Hydroxymethyl)indazol-1-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetic acid
CID 155102961

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2,3-dihydroindol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]propanoic acid;4-[4-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;4-[4-[6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methyl-5,6-dihydropurin-9-yl]pyridazin-4-yl]piperazin-1-yl]phenol;4-[4-[9-(3-hydroxypropyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;4-[4-(6-methyl-9-phenylpurin-2-yl)piperazin-1-yl]phenol?
The IUPAC name of 3-[6-(2,3-dihydroindol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]propanoic acid;4-[4-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;4-[4-[6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methyl-5,6-dihydropurin-9-yl]pyridazin-4-yl]piperazin-1-yl]phenol;4-[4-[9-(3-hydroxypropyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;4-[4-(6-methyl-9-phenylpurin-2-yl)piperazin-1-yl]phenol (CID 164993961) is 3-[6-(2,3-dihydroindol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]propanoic acid;4-[4-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;4-[4-[6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methyl-5,6-dihydropurin-9-yl]pyridazin-4-yl]piperazin-1-yl]phenol;4-[4-[9-(3-hydroxypropyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;4-[4-(6-methyl-9-phenylpurin-2-yl)piperazin-1-yl]phenol.
What is the SMILES notation for 3-[6-(2,3-dihydroindol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]propanoic acid;4-[4-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;4-[4-[6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methyl-5,6-dihydropurin-9-yl]pyridazin-4-yl]piperazin-1-yl]phenol;4-[4-[9-(3-hydroxypropyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;4-[4-(6-methyl-9-phenylpurin-2-yl)piperazin-1-yl]phenol?
The canonical SMILES for 3-[6-(2,3-dihydroindol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]propanoic acid;4-[4-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;4-[4-[6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methyl-5,6-dihydropurin-9-yl]pyridazin-4-yl]piperazin-1-yl]phenol;4-[4-[9-(3-hydroxypropyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;4-[4-(6-methyl-9-phenylpurin-2-yl)piperazin-1-yl]phenol is CC1N=C(N2CCN(c3ccc(O)cc3)CC2)N=C2C1N=CN2c1cc(N2CCN(c3ccc(O)cc3)CC2)cnn1.Cc1nc(N2CCN(c3ccc(O)cc3)CC2)nc2c1ncn2-c1ccccc1.O=C(O)CCn1cnc2c(N3CCc4ccccc43)nc(N3CCN(c4ccc(O)cc4)CC3)nc21.OCCCn1cnc2c(-n3ncc4ccccc43)nc(N3CCN(c4ccc(O)cc4)CC3)nc21.OCCn1cnc2c(-n3ncc4ccccc43)nc(N3CCN(c4ccc(O)cc4)CC3)nc21.
What is the InChIKey of 3-[6-(2,3-dihydroindol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]propanoic acid;4-[4-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;4-[4-[6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methyl-5,6-dihydropurin-9-yl]pyridazin-4-yl]piperazin-1-yl]phenol;4-[4-[9-(3-hydroxypropyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;4-[4-(6-methyl-9-phenylpurin-2-yl)piperazin-1-yl]phenol?
The InChIKey is HGWXULGCRKUKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N10O2.C26H27N7O3.C25H26N8O2.C24H24N8O2.C22H22N6O/c1-21-28-29(34-30(33-21)39-16-14-37(15-17-39)23-4-8-26(42)9-5-23)40(20-31-28)27-18-24(19-32-35-27)38-12-10-36(11-13-38)22-2-6-25(41)7-3-22;34-20-7-5-19(6-8-20)30-13-15-31(16-14-30)26-28-24-23(27-17-32(24)11-10-22(35)36)25(29-26)33-12-9-18-3-1-2-4-21(18)33;34-15-3-10-32-17-26-22-23(32)28-25(29-24(22)33-21-5-2-1-4-18(21)16-27-33)31-13-11-30(12-14-31)19-6-8-20(35)9-7-19;33-14-13-31-16-25-21-22(31)27-24(28-23(21)32-20-4-2-1-3-17(20)15-26-32)30-11-9-29(10-12-30)18-5-7-19(34)8-6-18;1-16-20-21(28(15-23-20)18-5-3-2-4-6-18)25-22(24-16)27-13-11-26(12-14-27)17-7-9-19(29)10-8-17/h2-9,18-21,28,41-42H,10-17H2,1H3;1-8,17,34H,9-16H2,(H,35,36);1-2,4-9,16-17,34-35H,3,10-15H2;1-8,15-16,33-34H,9-14H2;2-10,15,29H,11-14H2,1H3.
What are the key properties of 3-[6-(2,3-dihydroindol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]propanoic acid;4-[4-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;4-[4-[6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methyl-5,6-dihydropurin-9-yl]pyridazin-4-yl]piperazin-1-yl]phenol;4-[4-[9-(3-hydroxypropyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;4-[4-(6-methyl-9-phenylpurin-2-yl)piperazin-1-yl]phenol?
3-[6-(2,3-dihydroindol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]propanoic acid;4-[4-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;4-[4-[6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methyl-5,6-dihydropurin-9-yl]pyridazin-4-yl]piperazin-1-yl]phenol;4-[4-[9-(3-hydroxypropyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;4-[4-(6-methyl-9-phenylpurin-2-yl)piperazin-1-yl]phenol has a molecular weight of 2365.72 g/mol, XLogP of 13.36, 24 rotatable bonds, 9 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2,3-dihydroindol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]propanoic acid;4-[4-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;4-[4-[6-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methyl-5,6-dihydropurin-9-yl]pyridazin-4-yl]piperazin-1-yl]phenol;4-[4-[9-(3-hydroxypropyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;4-[4-(6-methyl-9-phenylpurin-2-yl)piperazin-1-yl]phenol is sourced from PubChem (CID 164993961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).