4-[4-[4-amino-7-(2-methyl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]phenol;4-[4-(3-bromo-7-indazol-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;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-[7-(propylamino)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]phenol

C124H117BrN38O5 — CID 164989815

IUPAC4-[4-[4-amino-7-(2-methyl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]phenol;4-[4-(3-bromo-7-indazol-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;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-[7-(propylamino)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]phenol
SMILESCCCNc1cc(N2CCN(c3ccc(O)cc3)CC2)nc2c(-c3cccnc3)cnn12.Cc1ncccc1-n1ccc2c(N)nc(N3CCN(c4ccc(O)cc4)CC3)nc21.Oc1ccc(N2CCN(c3cc(-n4ncc5ccccc54)n4ncc(-c5cccnc5)c4n3)CC2)cc1.Oc1ccc(N2CCN(c3cc(-n4ncc5ccccc54)n4ncc(Br)c4n3)CC2)cc1.Oc1ccc(N2CCN(c3nc(-n4ncc5ccccc54)c4ncn(-c5cccnc5)c4n3)CC2)cc1
InChIInChI=1S/C28H24N8O.C27H23N9O.C24H27N7O.C23H20BrN7O.C22H23N7O/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;1-2-9-26-22-15-23(28-24-21(17-27-31(22)24)18-4-3-10-25-16-18)30-13-11-29(12-14-30)19-5-7-20(32)8-6-19;24-19-15-26-31-22(30-20-4-2-1-3-16(20)14-25-30)13-21(27-23(19)31)29-11-9-28(10-12-29)17-5-7-18(32)8-6-17;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/h1-11,16-19,37H,12-15H2;1-11,16-18,37H,12-15H2;3-8,10,15-17,26,32H,2,9,11-14H2,1H3;1-8,13-15,32H,9-12H2;2-10,30H,11-14H2,1H3,(H2,23,25,26)
InChIKeyGRPLHGASCNMJCB-UHFFFAOYSA-N
MW2299.46 g/mol
LogP17.99
Rot. Bonds20

About 4-[4-[4-amino-7-(2-methyl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]phenol;4-[4-(3-bromo-7-indazol-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;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-[7-(propylamino)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-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-(3-bromo-7-indazol-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;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-[7-(propylamino)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]phenol (PubChem CID 164989815) has the molecular formula C124H117BrN38O5 and a molecular weight of 2299.46 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-(3-bromo-7-indazol-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;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-[7-(propylamino)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[4-amino-7-(2-methyl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]phenol;4-[4-(3-bromo-7-indazol-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;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-[7-(propylamino)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]phenol
PubChem CID164989815
Molecular FormulaC124H117BrN38O5
Molecular Weight2299.46 g/mol
Exact Mass2296.93
IUPAC Name4-[4-[4-amino-7-(2-methyl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]phenol;4-[4-(3-bromo-7-indazol-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;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-[7-(propylamino)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]phenol
SMILESCCCNc1cc(N2CCN(c3ccc(O)cc3)CC2)nc2c(-c3cccnc3)cnn12.Cc1ncccc1-n1ccc2c(N)nc(N3CCN(c4ccc(O)cc4)CC3)nc21.Oc1ccc(N2CCN(c3cc(-n4ncc5ccccc54)n4ncc(-c5cccnc5)c4n3)CC2)cc1.Oc1ccc(N2CCN(c3cc(-n4ncc5ccccc54)n4ncc(Br)c4n3)CC2)cc1.Oc1ccc(N2CCN(c3nc(-n4ncc5ccccc54)c4ncn(-c5cccnc5)c4n3)CC2)cc1
InChIInChI=1S/C28H24N8O.C27H23N9O.C24H27N7O.C23H20BrN7O.C22H23N7O/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;1-2-9-26-22-15-23(28-24-21(17-27-31(22)24)18-4-3-10-25-16-18)30-13-11-29(12-14-30)19-5-7-20(32)8-6-19;24-19-15-26-31-22(30-20-4-2-1-3-16(20)14-25-30)13-21(27-23(19)31)29-11-9-28(10-12-29)17-5-7-18(32)8-6-17;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/h1-11,16-19,37H,12-15H2;1-11,16-18,37H,12-15H2;3-8,10,15-17,26,32H,2,9,11-14H2,1H3;1-8,13-15,32H,9-12H2;2-10,30H,11-14H2,1H3,(H2,23,25,26)
InChIKeyGRPLHGASCNMJCB-UHFFFAOYSA-N
XLogP17.99
TPSA441.50 Ų
H-Bond Donors7
H-Bond Acceptors43
Rotatable Bonds20
Heavy Atoms168
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002299.46
LogP ≤ 517.99
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1043

Analyze 4-[4-[4-amino-7-(2-methyl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]phenol;4-[4-(3-bromo-7-indazol-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;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-[7-(propylamino)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]phenol with MolForge

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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-(3-bromo-7-indazol-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;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-[7-(propylamino)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-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-(3-bromo-7-indazol-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;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-[7-(propylamino)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]phenol (CID 164989815) is 4-[4-[4-amino-7-(2-methyl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]phenol;4-[4-(3-bromo-7-indazol-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;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-[7-(propylamino)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-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-(3-bromo-7-indazol-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;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-[7-(propylamino)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-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-(3-bromo-7-indazol-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;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-[7-(propylamino)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]phenol is CCCNc1cc(N2CCN(c3ccc(O)cc3)CC2)nc2c(-c3cccnc3)cnn12.Cc1ncccc1-n1ccc2c(N)nc(N3CCN(c4ccc(O)cc4)CC3)nc21.Oc1ccc(N2CCN(c3cc(-n4ncc5ccccc54)n4ncc(-c5cccnc5)c4n3)CC2)cc1.Oc1ccc(N2CCN(c3cc(-n4ncc5ccccc54)n4ncc(Br)c4n3)CC2)cc1.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-(3-bromo-7-indazol-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;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-[7-(propylamino)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]phenol?
The InChIKey is GRPLHGASCNMJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N8O.C27H23N9O.C24H27N7O.C23H20BrN7O.C22H23N7O/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;1-2-9-26-22-15-23(28-24-21(17-27-31(22)24)18-4-3-10-25-16-18)30-13-11-29(12-14-30)19-5-7-20(32)8-6-19;24-19-15-26-31-22(30-20-4-2-1-3-16(20)14-25-30)13-21(27-23(19)31)29-11-9-28(10-12-29)17-5-7-18(32)8-6-17;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/h1-11,16-19,37H,12-15H2;1-11,16-18,37H,12-15H2;3-8,10,15-17,26,32H,2,9,11-14H2,1H3;1-8,13-15,32H,9-12H2;2-10,30H,11-14H2,1H3,(H2,23,25,26).
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-(3-bromo-7-indazol-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;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-[7-(propylamino)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-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-(3-bromo-7-indazol-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;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-[7-(propylamino)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]phenol has a molecular weight of 2299.46 g/mol, XLogP of 17.99, 20 rotatable bonds, 7 hydrogen bond donors, and 43 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-(3-bromo-7-indazol-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol;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-[7-(propylamino)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]phenol is sourced from PubChem (CID 164989815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).