2-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]-N-pyridin-2-ylacetamide;2-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide;8-(4-fluorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-7H-purin-2-amine

C63H61F4N25O2S — CID 87282611

IUPAC2-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]-N-pyridin-2-ylacetamide;2-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide;8-(4-fluorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-7H-purin-2-amine
SMILESNc1nc(N2CCN(CC(=O)Nc3ccccn3)CC2)c2[nH]c(-c3ccc(F)cc3)nc2n1.Nc1nc(N2CCN(CC(=O)Nc3nccs3)CC2)c2[nH]c(-c3ccc(F)cc3)nc2n1.Nc1nc(N2CCN(c3ccc(F)cc3)CC2)c2[nH]c(-c3ccc(F)cc3)nc2n1
InChIInChI=1S/C22H22FN9O.C21H19F2N7.C20H20FN9OS/c23-15-6-4-14(5-7-15)19-27-18-20(28-19)29-22(24)30-21(18)32-11-9-31(10-12-32)13-17(33)26-16-3-1-2-8-25-16;22-14-3-1-13(2-4-14)18-25-17-19(26-18)27-21(24)28-20(17)30-11-9-29(10-12-30)16-7-5-15(23)6-8-16;21-13-3-1-12(2-4-13)16-25-15-17(26-16)27-19(22)28-18(15)30-8-6-29(7-9-30)11-14(31)24-20-23-5-10-32-20/h1-8H,9-13H2,(H,25,26,33)(H3,24,27,28,29,30);1-8H,9-12H2,(H3,24,25,26,27,28);1-5,10H,6-9,11H2,(H,23,24,31)(H3,22,25,26,27,28)
InChIKeyMYQAJJUWVYEVTJ-UHFFFAOYSA-N
MW1308.41 g/mol
LogP7.06
Rot. Bonds13

About 2-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]-N-pyridin-2-ylacetamide;2-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide;8-(4-fluorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-7H-purin-2-amine

2-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]-N-pyridin-2-ylacetamide;2-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide;8-(4-fluorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-7H-purin-2-amine (PubChem CID 87282611) has the molecular formula C63H61F4N25O2S and a molecular weight of 1308.41 g/mol. Its IUPAC name is 2-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]-N-pyridin-2-ylacetamide;2-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide;8-(4-fluorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-7H-purin-2-amine.

Molecular Properties

Compound Name2-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]-N-pyridin-2-ylacetamide;2-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide;8-(4-fluorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-7H-purin-2-amine
PubChem CID87282611
Molecular FormulaC63H61F4N25O2S
Molecular Weight1308.41 g/mol
Exact Mass1307.51
IUPAC Name2-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]-N-pyridin-2-ylacetamide;2-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide;8-(4-fluorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-7H-purin-2-amine
SMILESNc1nc(N2CCN(CC(=O)Nc3ccccn3)CC2)c2[nH]c(-c3ccc(F)cc3)nc2n1.Nc1nc(N2CCN(CC(=O)Nc3nccs3)CC2)c2[nH]c(-c3ccc(F)cc3)nc2n1.Nc1nc(N2CCN(c3ccc(F)cc3)CC2)c2[nH]c(-c3ccc(F)cc3)nc2n1
InChIInChI=1S/C22H22FN9O.C21H19F2N7.C20H20FN9OS/c23-15-6-4-14(5-7-15)19-27-18-20(28-19)29-22(24)30-21(18)32-11-9-31(10-12-32)13-17(33)26-16-3-1-2-8-25-16;22-14-3-1-13(2-4-14)18-25-17-19(26-18)27-21(24)28-20(17)30-11-9-29(10-12-30)16-7-5-15(23)6-8-16;21-13-3-1-12(2-4-13)16-25-15-17(26-16)27-19(22)28-18(15)30-8-6-29(7-9-30)11-14(31)24-20-23-5-10-32-20/h1-8H,9-13H2,(H,25,26,33)(H3,24,27,28,29,30);1-8H,9-12H2,(H3,24,25,26,27,28);1-5,10H,6-9,11H2,(H,23,24,31)(H3,22,25,26,27,28)
InChIKeyMYQAJJUWVYEVTJ-UHFFFAOYSA-N
XLogP7.06
TPSA344.86 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds13
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001308.41
LogP ≤ 57.06
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

Analyze 2-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]-N-pyridin-2-ylacetamide;2-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide;8-(4-fluorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-7H-purin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]-N-pyridin-2-ylacetamide;2-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide;8-(4-fluorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-7H-purin-2-amine?
The IUPAC name of 2-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]-N-pyridin-2-ylacetamide;2-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide;8-(4-fluorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-7H-purin-2-amine (CID 87282611) is 2-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]-N-pyridin-2-ylacetamide;2-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide;8-(4-fluorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-7H-purin-2-amine.
What is the SMILES notation for 2-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]-N-pyridin-2-ylacetamide;2-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide;8-(4-fluorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-7H-purin-2-amine?
The canonical SMILES for 2-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]-N-pyridin-2-ylacetamide;2-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide;8-(4-fluorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-7H-purin-2-amine is Nc1nc(N2CCN(CC(=O)Nc3ccccn3)CC2)c2[nH]c(-c3ccc(F)cc3)nc2n1.Nc1nc(N2CCN(CC(=O)Nc3nccs3)CC2)c2[nH]c(-c3ccc(F)cc3)nc2n1.Nc1nc(N2CCN(c3ccc(F)cc3)CC2)c2[nH]c(-c3ccc(F)cc3)nc2n1.
What is the InChIKey of 2-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]-N-pyridin-2-ylacetamide;2-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide;8-(4-fluorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-7H-purin-2-amine?
The InChIKey is MYQAJJUWVYEVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN9O.C21H19F2N7.C20H20FN9OS/c23-15-6-4-14(5-7-15)19-27-18-20(28-19)29-22(24)30-21(18)32-11-9-31(10-12-32)13-17(33)26-16-3-1-2-8-25-16;22-14-3-1-13(2-4-14)18-25-17-19(26-18)27-21(24)28-20(17)30-11-9-29(10-12-30)16-7-5-15(23)6-8-16;21-13-3-1-12(2-4-13)16-25-15-17(26-16)27-19(22)28-18(15)30-8-6-29(7-9-30)11-14(31)24-20-23-5-10-32-20/h1-8H,9-13H2,(H,25,26,33)(H3,24,27,28,29,30);1-8H,9-12H2,(H3,24,25,26,27,28);1-5,10H,6-9,11H2,(H,23,24,31)(H3,22,25,26,27,28).
What are the key properties of 2-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]-N-pyridin-2-ylacetamide;2-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide;8-(4-fluorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-7H-purin-2-amine?
2-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]-N-pyridin-2-ylacetamide;2-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide;8-(4-fluorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-7H-purin-2-amine has a molecular weight of 1308.41 g/mol, XLogP of 7.06, 13 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]-N-pyridin-2-ylacetamide;2-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide;8-(4-fluorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-7H-purin-2-amine is sourced from PubChem (CID 87282611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).