N-[1-(4-bromophenyl)ethyl]-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine;bis(5-cyclopentyl-4-ethyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine);5-cyclopentyl-4-ethyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine;5-cyclopentyl-4-ethyl-N-[1-(4-piperazin-1-ylphenyl)ethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine;4-ethyl-5-phenyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine

C149H187BrN46 — CID 158639375

About N-[1-(4-bromophenyl)ethyl]-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine;bis(5-cyclopentyl-4-ethyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine);5-cyclopentyl-4-ethyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine;5-cyclopentyl-4-ethyl-N-[1-(4-piperazin-1-ylphenyl)ethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine;4-ethyl-5-phenyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine

N-[1-(4-bromophenyl)ethyl]-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine;bis(5-cyclopentyl-4-ethyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine);5-cyclopentyl-4-ethyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine;5-cyclopentyl-4-ethyl-N-[1-(4-piperazin-1-ylphenyl)ethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine;4-ethyl-5-phenyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine (PubChem CID 158639375) has the molecular formula C149H187BrN46 and a molecular weight of 2702.36 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine;bis(5-cyclopentyl-4-ethyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine);5-cyclopentyl-4-ethyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine;5-cyclopentyl-4-ethyl-N-[1-(4-piperazin-1-ylphenyl)ethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine;4-ethyl-5-phenyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine.

Molecular Properties

• Compound Name: N-[1-(4-bromophenyl)ethyl]-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine;bis(5-cyclopentyl-4-ethyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine);5-cyclopentyl-4-ethyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine;5-cyclopentyl-4-ethyl-N-[1-(4-piperazin-1-ylphenyl)ethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine;4-ethyl-5-phenyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
• PubChem CID: 158639375
• Molecular Formula: C149H187BrN46
• Molecular Weight: 2702.36 g/mol
• Exact Mass: 2699.52
• IUPAC Name: N-[1-(4-bromophenyl)ethyl]-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine;bis(5-cyclopentyl-4-ethyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine);5-cyclopentyl-4-ethyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine;5-cyclopentyl-4-ethyl-N-[1-(4-piperazin-1-ylphenyl)ethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine;4-ethyl-5-phenyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
• SMILES: CCC1c2nncn2-c2cnc(CC(C)c3ccccc3)nc2N1C1CCCC1.CCC1c2nncn2-c2cnc(CC(C)c3ccccc3)nc2N1c1ccccc1.CCC1c2nncn2-c2cnc(NC(C)c3ccc(Br)cc3)nc2N1C1CCCC1.CCC1c2nncn2-c2cnc(NC(C)c3ccc(N4CCN(C)CC4)cc3)nc2N1C1CCCC1.CCC1c2nncn2-c2cnc(NC(C)c3ccc(N4CCN(C)CC4)cc3)nc2N1C1CCCC1.CCC1c2nncn2-c2cnc(NC(C)c3ccc(N4CCNCC4)cc3)nc2N1C1CCCC1
• InChI: InChI=1S/2C27H37N9.C26H35N9.C24H24N6.C23H28N6.C22H26BrN7/c2*1-4-23-26-32-29-18-35(26)24-17-28-27(31-25(24)36(23)22-7-5-6-8-22)30-19(2)20-9-11-21(12-10-20)34-15-13-33(3)14-16-34;1-3-22-25-32-29-17-34(25)23-16-28-26(31-24(23)35(22)21-6-4-5-7-21)30-18(2)19-8-10-20(11-9-19)33-14-12-27-13-15-33;1-3-20-24-28-26-16-29(24)21-15-25-22(14-17(2)18-10-6-4-7-11-18)27-23(21)30(20)19-12-8-5-9-13-19;1-3-19-23-27-25-15-28(23)20-14-24-21(13-16(2)17-9-5-4-6-10-17)26-22(20)29(19)18-11-7-8-12-18;1-3-18-21-28-25-13-29(21)19-12-24-22(26-14(2)15-8-10-16(23)11-9-15)27-20(19)30(18)17-6-4-5-7-17/h2*9-12,17-19,22-23H,4-8,13-16H2,1-3H3,(H,28,30,31);8-11,16-18,21-22,27H,3-7,12-15H2,1-2H3,(H,28,30,31);4-13,15-17,20H,3,14H2,1-2H3;4-6,9-10,14-16,18-19H,3,7-8,11-13H2,1-2H3;8-14,17-18H,3-7H2,1-2H3,(H,24,26,27)
• InChIKey: IAEIWPGFRCOBLX-UHFFFAOYSA-N
• XLogP: 27.08
• TPSA: 434.73 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 46
• Rotatable Bonds: 33
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2702.36
LogP ≤ 5	27.08
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine;bis(5-cyclopentyl-4-ethyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine);5-cyclopentyl-4-ethyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine;5-cyclopentyl-4-ethyl-N-[1-(4-piperazin-1-ylphenyl)ethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine;4-ethyl-5-phenyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine?

The IUPAC name of N-[1-(4-bromophenyl)ethyl]-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine;bis(5-cyclopentyl-4-ethyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine);5-cyclopentyl-4-ethyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine;5-cyclopentyl-4-ethyl-N-[1-(4-piperazin-1-ylphenyl)ethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine;4-ethyl-5-phenyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine (CID 158639375) is N-[1-(4-bromophenyl)ethyl]-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine;bis(5-cyclopentyl-4-ethyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine);5-cyclopentyl-4-ethyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine;5-cyclopentyl-4-ethyl-N-[1-(4-piperazin-1-ylphenyl)ethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine;4-ethyl-5-phenyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine.

What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine;bis(5-cyclopentyl-4-ethyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine);5-cyclopentyl-4-ethyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine;5-cyclopentyl-4-ethyl-N-[1-(4-piperazin-1-ylphenyl)ethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine;4-ethyl-5-phenyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine?

The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine;bis(5-cyclopentyl-4-ethyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine);5-cyclopentyl-4-ethyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine;5-cyclopentyl-4-ethyl-N-[1-(4-piperazin-1-ylphenyl)ethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine;4-ethyl-5-phenyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine is CCC1c2nncn2-c2cnc(CC(C)c3ccccc3)nc2N1C1CCCC1.CCC1c2nncn2-c2cnc(CC(C)c3ccccc3)nc2N1c1ccccc1.CCC1c2nncn2-c2cnc(NC(C)c3ccc(Br)cc3)nc2N1C1CCCC1.CCC1c2nncn2-c2cnc(NC(C)c3ccc(N4CCN(C)CC4)cc3)nc2N1C1CCCC1.CCC1c2nncn2-c2cnc(NC(C)c3ccc(N4CCN(C)CC4)cc3)nc2N1C1CCCC1.CCC1c2nncn2-c2cnc(NC(C)c3ccc(N4CCNCC4)cc3)nc2N1C1CCCC1.

What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine;bis(5-cyclopentyl-4-ethyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine);5-cyclopentyl-4-ethyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine;5-cyclopentyl-4-ethyl-N-[1-(4-piperazin-1-ylphenyl)ethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine;4-ethyl-5-phenyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine?

The InChIKey is IAEIWPGFRCOBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H37N9.C26H35N9.C24H24N6.C23H28N6.C22H26BrN7/c2*1-4-23-26-32-29-18-35(26)24-17-28-27(31-25(24)36(23)22-7-5-6-8-22)30-19(2)20-9-11-21(12-10-20)34-15-13-33(3)14-16-34;1-3-22-25-32-29-17-34(25)23-16-28-26(31-24(23)35(22)21-6-4-5-7-21)30-18(2)19-8-10-20(11-9-19)33-14-12-27-13-15-33;1-3-20-24-28-26-16-29(24)21-15-25-22(14-17(2)18-10-6-4-7-11-18)27-23(21)30(20)19-12-8-5-9-13-19;1-3-19-23-27-25-15-28(23)20-14-24-21(13-16(2)17-9-5-4-6-10-17)26-22(20)29(19)18-11-7-8-12-18;1-3-18-21-28-25-13-29(21)19-12-24-22(26-14(2)15-8-10-16(23)11-9-15)27-20(19)30(18)17-6-4-5-7-17/h2*9-12,17-19,22-23H,4-8,13-16H2,1-3H3,(H,28,30,31);8-11,16-18,21-22,27H,3-7,12-15H2,1-2H3,(H,28,30,31);4-13,15-17,20H,3,14H2,1-2H3;4-6,9-10,14-16,18-19H,3,7-8,11-13H2,1-2H3;8-14,17-18H,3-7H2,1-2H3,(H,24,26,27).

What are the key properties of N-[1-(4-bromophenyl)ethyl]-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine;bis(5-cyclopentyl-4-ethyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine);5-cyclopentyl-4-ethyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine;5-cyclopentyl-4-ethyl-N-[1-(4-piperazin-1-ylphenyl)ethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine;4-ethyl-5-phenyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine?

N-[1-(4-bromophenyl)ethyl]-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine;bis(5-cyclopentyl-4-ethyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine);5-cyclopentyl-4-ethyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine;5-cyclopentyl-4-ethyl-N-[1-(4-piperazin-1-ylphenyl)ethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine;4-ethyl-5-phenyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine has a molecular weight of 2702.36 g/mol, XLogP of 27.08, 33 rotatable bonds, 5 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-bromophenyl)ethyl]-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine;bis(5-cyclopentyl-4-ethyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine);5-cyclopentyl-4-ethyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine;5-cyclopentyl-4-ethyl-N-[1-(4-piperazin-1-ylphenyl)ethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine;4-ethyl-5-phenyl-7-(2-phenylpropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine is sourced from PubChem (CID 158639375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).