4-[4-[4-amino-7-(2-methyl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]phenol;4-[4-(4-amino-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenol;2-[6-(benzimidazol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetic acid;1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]-3-methylsulfonylpropan-2-one;4-[4-(6-indazol-1-yl-9-pyridin-3-ylpurin-2-yl)piperazin-1-yl]phenol

C120H115N39O10S — CID 164953628

About 4-[4-[4-amino-7-(2-methyl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]phenol;4-[4-(4-amino-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenol;2-[6-(benzimidazol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetic acid;1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]-3-methylsulfonylpropan-2-one;4-[4-(6-indazol-1-yl-9-pyridin-3-ylpurin-2-yl)piperazin-1-yl]phenol

4-[4-[4-amino-7-(2-methyl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]phenol;4-[4-(4-amino-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenol;2-[6-(benzimidazol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetic acid;1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]-3-methylsulfonylpropan-2-one;4-[4-(6-indazol-1-yl-9-pyridin-3-ylpurin-2-yl)piperazin-1-yl]phenol (PubChem CID 164953628) has the molecular formula C120H115N39O10S and a molecular weight of 2295.57 g/mol. Its IUPAC name is 4-[4-[4-amino-7-(2-methyl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]phenol;4-[4-(4-amino-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenol;2-[6-(benzimidazol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetic acid;1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]-3-methylsulfonylpropan-2-one;4-[4-(6-indazol-1-yl-9-pyridin-3-ylpurin-2-yl)piperazin-1-yl]phenol.

Molecular Properties

• Compound Name: 4-[4-[4-amino-7-(2-methyl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]phenol;4-[4-(4-amino-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenol;2-[6-(benzimidazol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetic acid;1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]-3-methylsulfonylpropan-2-one;4-[4-(6-indazol-1-yl-9-pyridin-3-ylpurin-2-yl)piperazin-1-yl]phenol
• PubChem CID: 164953628
• Molecular Formula: C120H115N39O10S
• Molecular Weight: 2295.57 g/mol
• Exact Mass: 2293.94
• IUPAC Name: 4-[4-[4-amino-7-(2-methyl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]phenol;4-[4-(4-amino-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenol;2-[6-(benzimidazol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetic acid;1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]-3-methylsulfonylpropan-2-one;4-[4-(6-indazol-1-yl-9-pyridin-3-ylpurin-2-yl)piperazin-1-yl]phenol
• SMILES: CS(=O)(=O)CC(=O)Cn1cnc2c(-n3ncc4ccccc43)nc(N3CCN(c4ccc(O)cc4)CC3)nc21.Cc1ncccc1-n1ccc2c(N)nc(N3CCN(c4ccc(O)cc4)CC3)nc21.Nc1nc(N2CCN(c3ccc(O)cc3)CC2)nc2c1ccn2-c1ccncc1.O=C(O)Cn1cnc2c(-n3cnc4ccccc43)nc(N3CCN(c4ccc(O)cc4)CC3)nc21.Oc1ccc(N2CCN(c3nc(-n4ncc5ccccc54)c4ncn(-c5cccnc5)c4n3)CC2)cc1
• InChI: InChI=1S/C27H23N9O.C26H26N8O4S.C24H22N8O3.C22H23N7O.C21H21N7O/c37-22-9-7-20(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;1-39(37,38)16-21(36)15-33-17-27-23-24(33)29-26(30-25(23)34-22-5-3-2-4-18(22)14-28-34)32-12-10-31(11-13-32)19-6-8-20(35)9-7-19;33-17-7-5-16(6-8-17)29-9-11-30(12-10-29)24-27-22-21(26-14-31(22)13-20(34)35)23(28-24)32-15-25-18-3-1-2-4-19(18)32;1-15-19(3-2-9-24-15)29-10-8-18-20(23)25-22(26-21(18)29)28-13-11-27(12-14-28)16-4-6-17(30)7-5-16;22-19-18-7-10-28(16-5-8-23-9-6-16)20(18)25-21(24-19)27-13-11-26(12-14-27)15-1-3-17(29)4-2-15/h1-11,16-18,37H,12-15H2;2-9,14,17,35H,10-13,15-16H2,1H3;1-8,14-15,33H,9-13H2,(H,34,35);2-10,30H,11-14H2,1H3,(H2,23,25,26);1-10,29H,11-14H2,(H2,22,24,25)
• InChIKey: AWDUTLYSAMIWTA-UHFFFAOYSA-N
• XLogP: 12.84
• TPSA: 558.45 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 48
• Rotatable Bonds: 22
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2295.57
LogP ≤ 5	12.84
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	48

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-amino-7-(2-methyl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]phenol;4-[4-(4-amino-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenol;2-[6-(benzimidazol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetic acid;1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]-3-methylsulfonylpropan-2-one;4-[4-(6-indazol-1-yl-9-pyridin-3-ylpurin-2-yl)piperazin-1-yl]phenol?

The IUPAC name of 4-[4-[4-amino-7-(2-methyl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]phenol;4-[4-(4-amino-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenol;2-[6-(benzimidazol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetic acid;1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]-3-methylsulfonylpropan-2-one;4-[4-(6-indazol-1-yl-9-pyridin-3-ylpurin-2-yl)piperazin-1-yl]phenol (CID 164953628) is 4-[4-[4-amino-7-(2-methyl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]phenol;4-[4-(4-amino-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenol;2-[6-(benzimidazol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetic acid;1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]-3-methylsulfonylpropan-2-one;4-[4-(6-indazol-1-yl-9-pyridin-3-ylpurin-2-yl)piperazin-1-yl]phenol.

What is the SMILES notation for 4-[4-[4-amino-7-(2-methyl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]phenol;4-[4-(4-amino-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenol;2-[6-(benzimidazol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetic acid;1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]-3-methylsulfonylpropan-2-one;4-[4-(6-indazol-1-yl-9-pyridin-3-ylpurin-2-yl)piperazin-1-yl]phenol?

The canonical SMILES for 4-[4-[4-amino-7-(2-methyl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]phenol;4-[4-(4-amino-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenol;2-[6-(benzimidazol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetic acid;1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]-3-methylsulfonylpropan-2-one;4-[4-(6-indazol-1-yl-9-pyridin-3-ylpurin-2-yl)piperazin-1-yl]phenol is CS(=O)(=O)CC(=O)Cn1cnc2c(-n3ncc4ccccc43)nc(N3CCN(c4ccc(O)cc4)CC3)nc21.Cc1ncccc1-n1ccc2c(N)nc(N3CCN(c4ccc(O)cc4)CC3)nc21.Nc1nc(N2CCN(c3ccc(O)cc3)CC2)nc2c1ccn2-c1ccncc1.O=C(O)Cn1cnc2c(-n3cnc4ccccc43)nc(N3CCN(c4ccc(O)cc4)CC3)nc21.Oc1ccc(N2CCN(c3nc(-n4ncc5ccccc54)c4ncn(-c5cccnc5)c4n3)CC2)cc1.

What is the InChIKey of 4-[4-[4-amino-7-(2-methyl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]phenol;4-[4-(4-amino-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenol;2-[6-(benzimidazol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetic acid;1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]-3-methylsulfonylpropan-2-one;4-[4-(6-indazol-1-yl-9-pyridin-3-ylpurin-2-yl)piperazin-1-yl]phenol?

The InChIKey is AWDUTLYSAMIWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N9O.C26H26N8O4S.C24H22N8O3.C22H23N7O.C21H21N7O/c37-22-9-7-20(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;1-39(37,38)16-21(36)15-33-17-27-23-24(33)29-26(30-25(23)34-22-5-3-2-4-18(22)14-28-34)32-12-10-31(11-13-32)19-6-8-20(35)9-7-19;33-17-7-5-16(6-8-17)29-9-11-30(12-10-29)24-27-22-21(26-14-31(22)13-20(34)35)23(28-24)32-15-25-18-3-1-2-4-19(18)32;1-15-19(3-2-9-24-15)29-10-8-18-20(23)25-22(26-21(18)29)28-13-11-27(12-14-28)16-4-6-17(30)7-5-16;22-19-18-7-10-28(16-5-8-23-9-6-16)20(18)25-21(24-19)27-13-11-26(12-14-27)15-1-3-17(29)4-2-15/h1-11,16-18,37H,12-15H2;2-9,14,17,35H,10-13,15-16H2,1H3;1-8,14-15,33H,9-13H2,(H,34,35);2-10,30H,11-14H2,1H3,(H2,23,25,26);1-10,29H,11-14H2,(H2,22,24,25).

What are the key properties of 4-[4-[4-amino-7-(2-methyl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]phenol;4-[4-(4-amino-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenol;2-[6-(benzimidazol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetic acid;1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]-3-methylsulfonylpropan-2-one;4-[4-(6-indazol-1-yl-9-pyridin-3-ylpurin-2-yl)piperazin-1-yl]phenol?

4-[4-[4-amino-7-(2-methyl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]phenol;4-[4-(4-amino-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenol;2-[6-(benzimidazol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetic acid;1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]-3-methylsulfonylpropan-2-one;4-[4-(6-indazol-1-yl-9-pyridin-3-ylpurin-2-yl)piperazin-1-yl]phenol has a molecular weight of 2295.57 g/mol, XLogP of 12.84, 22 rotatable bonds, 8 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[4-amino-7-(2-methyl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]phenol;4-[4-(4-amino-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenol;2-[6-(benzimidazol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]acetic acid;1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]-3-methylsulfonylpropan-2-one;4-[4-(6-indazol-1-yl-9-pyridin-3-ylpurin-2-yl)piperazin-1-yl]phenol is sourced from PubChem (CID 164953628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).