2-[4-[[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methyl]piperazin-1-yl]-5-(2-methoxyethoxy)benzonitrile;7-[3-[[4-(4-butylphenyl)piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[4-(2-methoxyethoxy)-2-methylphenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[(3-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C145H152N36O12 — CID 157318451

About 2-[4-[[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methyl]piperazin-1-yl]-5-(2-methoxyethoxy)benzonitrile;7-[3-[[4-(4-butylphenyl)piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[4-(2-methoxyethoxy)-2-methylphenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[(3-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

2-[4-[[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methyl]piperazin-1-yl]-5-(2-methoxyethoxy)benzonitrile;7-[3-[[4-(4-butylphenyl)piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[4-(2-methoxyethoxy)-2-methylphenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[(3-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 157318451) has the molecular formula C145H152N36O12 and a molecular weight of 2591.05 g/mol. Its IUPAC name is 2-[4-[[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methyl]piperazin-1-yl]-5-(2-methoxyethoxy)benzonitrile;7-[3-[[4-(4-butylphenyl)piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[4-(2-methoxyethoxy)-2-methylphenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[(3-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 2-[4-[[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methyl]piperazin-1-yl]-5-(2-methoxyethoxy)benzonitrile;7-[3-[[4-(4-butylphenyl)piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[4-(2-methoxyethoxy)-2-methylphenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[(3-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
• PubChem CID: 157318451
• Molecular Formula: C145H152N36O12
• Molecular Weight: 2591.05 g/mol
• Exact Mass: 2589.24
• IUPAC Name: 2-[4-[[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methyl]piperazin-1-yl]-5-(2-methoxyethoxy)benzonitrile;7-[3-[[4-(4-butylphenyl)piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[4-(2-methoxyethoxy)-2-methylphenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[(3-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
• SMILES: CCCCc1ccc(N2CCN(Cc3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)cc1.COCCOc1ccc(N2CCN(Cc3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)c(C#N)c1.COCCOc1ccc(N2CCN(Cc3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)c(C)c1.COCCOc1ccc(N2CCN(Cc3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)cc1OC.Cc1cnc2c(c1)CN(Cc1cccc(-c3cc4nc(-c5ccco5)nn4c(N)n3)c1)CC2
• InChI: InChI=1S/C30H30N8O3.C30H33N7O4.C30H33N7O3.C30H33N7O.C25H23N7O/c1-39-14-15-40-24-7-8-26(23(17-24)19-31)37-11-9-36(10-12-37)20-21-4-2-5-22(16-21)25-18-28-34-29(27-6-3-13-41-27)35-38(28)30(32)33-25;1-38-15-16-41-25-9-8-23(18-27(25)39-2)36-12-10-35(11-13-36)20-21-5-3-6-22(17-21)24-19-28-33-29(26-7-4-14-40-26)34-37(28)30(31)32-24;1-21-17-24(39-16-15-38-2)8-9-26(21)36-12-10-35(11-13-36)20-22-5-3-6-23(18-22)25-19-28-33-29(27-7-4-14-40-27)34-37(28)30(31)32-25;1-2-3-6-22-10-12-25(13-11-22)36-16-14-35(15-17-36)21-23-7-4-8-24(19-23)26-20-28-33-29(27-9-5-18-38-27)34-37(28)30(31)32-26;1-16-10-19-15-31(8-7-20(19)27-13-16)14-17-4-2-5-18(11-17)21-12-23-29-24(22-6-3-9-33-22)30-32(23)25(26)28-21/h2-8,13,16-18H,9-12,14-15,20H2,1H3,(H2,32,33);3-9,14,17-19H,10-13,15-16,20H2,1-2H3,(H2,31,32);3-9,14,17-19H,10-13,15-16,20H2,1-2H3,(H2,31,32);4-5,7-13,18-20H,2-3,6,14-17,21H2,1H3,(H2,31,32);2-6,9-13H,7-8,14-15H2,1H3,(H2,26,28)
• InChIKey: BDWPTAPLBMDCLZ-UHFFFAOYSA-N
• XLogP: 21.32
• TPSA: 541.65 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 48
• Rotatable Bonds: 40
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2591.05
LogP ≤ 5	21.32
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methyl]piperazin-1-yl]-5-(2-methoxyethoxy)benzonitrile;7-[3-[[4-(4-butylphenyl)piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[4-(2-methoxyethoxy)-2-methylphenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[(3-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

The IUPAC name of 2-[4-[[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methyl]piperazin-1-yl]-5-(2-methoxyethoxy)benzonitrile;7-[3-[[4-(4-butylphenyl)piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[4-(2-methoxyethoxy)-2-methylphenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[(3-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 157318451) is 2-[4-[[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methyl]piperazin-1-yl]-5-(2-methoxyethoxy)benzonitrile;7-[3-[[4-(4-butylphenyl)piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[4-(2-methoxyethoxy)-2-methylphenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[(3-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

What is the SMILES notation for 2-[4-[[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methyl]piperazin-1-yl]-5-(2-methoxyethoxy)benzonitrile;7-[3-[[4-(4-butylphenyl)piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[4-(2-methoxyethoxy)-2-methylphenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[(3-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

The canonical SMILES for 2-[4-[[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methyl]piperazin-1-yl]-5-(2-methoxyethoxy)benzonitrile;7-[3-[[4-(4-butylphenyl)piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[4-(2-methoxyethoxy)-2-methylphenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[(3-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is CCCCc1ccc(N2CCN(Cc3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)cc1.COCCOc1ccc(N2CCN(Cc3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)c(C#N)c1.COCCOc1ccc(N2CCN(Cc3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)c(C)c1.COCCOc1ccc(N2CCN(Cc3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)cc1OC.Cc1cnc2c(c1)CN(Cc1cccc(-c3cc4nc(-c5ccco5)nn4c(N)n3)c1)CC2.

What is the InChIKey of 2-[4-[[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methyl]piperazin-1-yl]-5-(2-methoxyethoxy)benzonitrile;7-[3-[[4-(4-butylphenyl)piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[4-(2-methoxyethoxy)-2-methylphenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[(3-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

The InChIKey is BDWPTAPLBMDCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N8O3.C30H33N7O4.C30H33N7O3.C30H33N7O.C25H23N7O/c1-39-14-15-40-24-7-8-26(23(17-24)19-31)37-11-9-36(10-12-37)20-21-4-2-5-22(16-21)25-18-28-34-29(27-6-3-13-41-27)35-38(28)30(32)33-25;1-38-15-16-41-25-9-8-23(18-27(25)39-2)36-12-10-35(11-13-36)20-21-5-3-6-22(17-21)24-19-28-33-29(26-7-4-14-40-26)34-37(28)30(31)32-24;1-21-17-24(39-16-15-38-2)8-9-26(21)36-12-10-35(11-13-36)20-22-5-3-6-23(18-22)25-19-28-33-29(27-7-4-14-40-27)34-37(28)30(31)32-25;1-2-3-6-22-10-12-25(13-11-22)36-16-14-35(15-17-36)21-23-7-4-8-24(19-23)26-20-28-33-29(27-9-5-18-38-27)34-37(28)30(31)32-26;1-16-10-19-15-31(8-7-20(19)27-13-16)14-17-4-2-5-18(11-17)21-12-23-29-24(22-6-3-9-33-22)30-32(23)25(26)28-21/h2-8,13,16-18H,9-12,14-15,20H2,1H3,(H2,32,33);3-9,14,17-19H,10-13,15-16,20H2,1-2H3,(H2,31,32);3-9,14,17-19H,10-13,15-16,20H2,1-2H3,(H2,31,32);4-5,7-13,18-20H,2-3,6,14-17,21H2,1H3,(H2,31,32);2-6,9-13H,7-8,14-15H2,1H3,(H2,26,28).

What are the key properties of 2-[4-[[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methyl]piperazin-1-yl]-5-(2-methoxyethoxy)benzonitrile;7-[3-[[4-(4-butylphenyl)piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[4-(2-methoxyethoxy)-2-methylphenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[(3-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

2-[4-[[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methyl]piperazin-1-yl]-5-(2-methoxyethoxy)benzonitrile;7-[3-[[4-(4-butylphenyl)piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[4-(2-methoxyethoxy)-2-methylphenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[(3-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 2591.05 g/mol, XLogP of 21.32, 40 rotatable bonds, 5 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methyl]piperazin-1-yl]-5-(2-methoxyethoxy)benzonitrile;7-[3-[[4-(4-butylphenyl)piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[4-(2-methoxyethoxy)-2-methylphenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[(3-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 157318451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).