N-[1-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperidin-4-yl]-N,2-dimethylpropanamide;7-[3-(4-benzylpiperazin-1-yl)phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]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)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C161H171FN42O14 — CID 161417281

IUPACN-[1-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperidin-4-yl]-N,2-dimethylpropanamide;7-[3-(4-benzylpiperazin-1-yl)phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]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)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCC(C)C(=O)N(C)C1CCN(c2cccc(-c3cc4nc(-c5ccco5)nn4c(N)n3)c2)CC1.COCCOc1ccc(N2CCN(Cc3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)c(F)c1.COCCOc1ccc(N2CCN(Cc3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)cc1.COCCOc1ccc(N2CCN(c3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)cc1.Nc1nc(-c2cccc(N3CCC(N4CCOCC4)CC3)c2)cc2nc(-c3ccco3)nn12.Nc1nc(-c2cccc(N3CCN(Cc4ccccc4)CC3)c2)cc2nc(-c3ccco3)nn12
InChIInChI=1S/C29H30FN7O3.C29H31N7O3.C28H29N7O3.C26H25N7O.C25H29N7O2.C24H27N7O2/c1-38-14-15-39-22-7-8-25(23(30)17-22)36-11-9-35(10-12-36)19-20-4-2-5-21(16-20)24-18-27-33-28(26-6-3-13-40-26)34-37(27)29(31)32-24;1-37-16-17-38-24-9-7-23(8-10-24)35-13-11-34(12-14-35)20-21-4-2-5-22(18-21)25-19-27-32-28(26-6-3-15-39-26)33-36(27)29(30)31-25;1-36-16-17-37-23-9-7-21(8-10-23)33-11-13-34(14-12-33)22-5-2-4-20(18-22)24-19-26-31-27(25-6-3-15-38-25)32-35(26)28(29)30-24;27-26-28-22(17-24-29-25(30-33(24)26)23-10-5-15-34-23)20-8-4-9-21(16-20)32-13-11-31(12-14-32)18-19-6-2-1-3-7-19;1-16(2)24(33)30(3)18-9-11-31(12-10-18)19-7-4-6-17(14-19)20-15-22-28-23(21-8-5-13-34-21)29-32(22)25(26)27-20;25-24-26-20(16-22-27-23(28-31(22)24)21-5-2-12-33-21)17-3-1-4-19(15-17)29-8-6-18(7-9-29)30-10-13-32-14-11-30/h2-8,13,16-18H,9-12,14-15,19H2,1H3,(H2,31,32);2-10,15,18-19H,11-14,16-17,20H2,1H3,(H2,30,31);2-10,15,18-19H,11-14,16-17H2,1H3,(H2,29,30);1-10,15-17H,11-14,18H2,(H2,27,28);4-8,13-16,18H,9-12H2,1-3H3,(H2,26,27);1-5,12,15-16,18H,6-11,13-14H2,(H2,25,26)
InChIKeyVWGFAOAYAHPSCL-UHFFFAOYSA-N
MW2937.42 g/mol
LogP22.69
Rot. Bonds40

About N-[1-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperidin-4-yl]-N,2-dimethylpropanamide;7-[3-(4-benzylpiperazin-1-yl)phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]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)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

N-[1-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperidin-4-yl]-N,2-dimethylpropanamide;7-[3-(4-benzylpiperazin-1-yl)phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]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)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 161417281) has the molecular formula C161H171FN42O14 and a molecular weight of 2937.42 g/mol. Its IUPAC name is N-[1-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperidin-4-yl]-N,2-dimethylpropanamide;7-[3-(4-benzylpiperazin-1-yl)phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]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)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[1-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperidin-4-yl]-N,2-dimethylpropanamide;7-[3-(4-benzylpiperazin-1-yl)phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]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)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID161417281
Molecular FormulaC161H171FN42O14
Molecular Weight2937.42 g/mol
Exact Mass2935.39
IUPAC NameN-[1-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperidin-4-yl]-N,2-dimethylpropanamide;7-[3-(4-benzylpiperazin-1-yl)phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]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)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCC(C)C(=O)N(C)C1CCN(c2cccc(-c3cc4nc(-c5ccco5)nn4c(N)n3)c2)CC1.COCCOc1ccc(N2CCN(Cc3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)c(F)c1.COCCOc1ccc(N2CCN(Cc3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)cc1.COCCOc1ccc(N2CCN(c3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)cc1.Nc1nc(-c2cccc(N3CCC(N4CCOCC4)CC3)c2)cc2nc(-c3ccco3)nn12.Nc1nc(-c2cccc(N3CCN(Cc4ccccc4)CC3)c2)cc2nc(-c3ccco3)nn12
InChIInChI=1S/C29H30FN7O3.C29H31N7O3.C28H29N7O3.C26H25N7O.C25H29N7O2.C24H27N7O2/c1-38-14-15-39-22-7-8-25(23(30)17-22)36-11-9-35(10-12-36)19-20-4-2-5-21(16-20)24-18-27-33-28(26-6-3-13-40-26)34-37(27)29(31)32-24;1-37-16-17-38-24-9-7-23(8-10-24)35-13-11-34(12-14-35)20-21-4-2-5-22(18-21)25-19-27-32-28(26-6-3-15-39-26)33-36(27)29(30)31-25;1-36-16-17-37-23-9-7-21(8-10-23)33-11-13-34(14-12-33)22-5-2-4-20(18-22)24-19-26-31-27(25-6-3-15-38-25)32-35(26)28(29)30-24;27-26-28-22(17-24-29-25(30-33(24)26)23-10-5-15-34-23)20-8-4-9-21(16-20)32-13-11-31(12-14-32)18-19-6-2-1-3-7-19;1-16(2)24(33)30(3)18-9-11-31(12-10-18)19-7-4-6-17(14-19)20-15-22-28-23(21-8-5-13-34-21)29-32(22)25(26)27-20;25-24-26-20(16-22-27-23(28-31(22)24)21-5-2-12-33-21)17-3-1-4-19(15-17)29-8-6-18(7-9-29)30-10-13-32-14-11-30/h2-8,13,16-18H,9-12,14-15,19H2,1H3,(H2,31,32);2-10,15,18-19H,11-14,16-17,20H2,1H3,(H2,30,31);2-10,15,18-19H,11-14,16-17H2,1H3,(H2,29,30);1-10,15-17H,11-14,18H2,(H2,27,28);4-8,13-16,18H,9-12H2,1-3H3,(H2,26,27);1-5,12,15-16,18H,6-11,13-14H2,(H2,25,26)
InChIKeyVWGFAOAYAHPSCL-UHFFFAOYSA-N
XLogP22.69
TPSA614.00 Ų
H-Bond Donors6
H-Bond Acceptors55
Rotatable Bonds40
Heavy Atoms218
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002937.42
LogP ≤ 522.69
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1055

Computed Properties (RDKit)

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

Analyze N-[1-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperidin-4-yl]-N,2-dimethylpropanamide;7-[3-(4-benzylpiperazin-1-yl)phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]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)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperidin-4-yl]-N,2-dimethylpropanamide;7-[3-(4-benzylpiperazin-1-yl)phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]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)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of N-[1-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperidin-4-yl]-N,2-dimethylpropanamide;7-[3-(4-benzylpiperazin-1-yl)phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]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)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 161417281) is N-[1-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperidin-4-yl]-N,2-dimethylpropanamide;7-[3-(4-benzylpiperazin-1-yl)phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]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)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for N-[1-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperidin-4-yl]-N,2-dimethylpropanamide;7-[3-(4-benzylpiperazin-1-yl)phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]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)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for N-[1-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperidin-4-yl]-N,2-dimethylpropanamide;7-[3-(4-benzylpiperazin-1-yl)phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]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)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is CC(C)C(=O)N(C)C1CCN(c2cccc(-c3cc4nc(-c5ccco5)nn4c(N)n3)c2)CC1.COCCOc1ccc(N2CCN(Cc3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)c(F)c1.COCCOc1ccc(N2CCN(Cc3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)cc1.COCCOc1ccc(N2CCN(c3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)cc1.Nc1nc(-c2cccc(N3CCC(N4CCOCC4)CC3)c2)cc2nc(-c3ccco3)nn12.Nc1nc(-c2cccc(N3CCN(Cc4ccccc4)CC3)c2)cc2nc(-c3ccco3)nn12.
What is the InChIKey of N-[1-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperidin-4-yl]-N,2-dimethylpropanamide;7-[3-(4-benzylpiperazin-1-yl)phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]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)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is VWGFAOAYAHPSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN7O3.C29H31N7O3.C28H29N7O3.C26H25N7O.C25H29N7O2.C24H27N7O2/c1-38-14-15-39-22-7-8-25(23(30)17-22)36-11-9-35(10-12-36)19-20-4-2-5-21(16-20)24-18-27-33-28(26-6-3-13-40-26)34-37(27)29(31)32-24;1-37-16-17-38-24-9-7-23(8-10-24)35-13-11-34(12-14-35)20-21-4-2-5-22(18-21)25-19-27-32-28(26-6-3-15-39-26)33-36(27)29(30)31-25;1-36-16-17-37-23-9-7-21(8-10-23)33-11-13-34(14-12-33)22-5-2-4-20(18-22)24-19-26-31-27(25-6-3-15-38-25)32-35(26)28(29)30-24;27-26-28-22(17-24-29-25(30-33(24)26)23-10-5-15-34-23)20-8-4-9-21(16-20)32-13-11-31(12-14-32)18-19-6-2-1-3-7-19;1-16(2)24(33)30(3)18-9-11-31(12-10-18)19-7-4-6-17(14-19)20-15-22-28-23(21-8-5-13-34-21)29-32(22)25(26)27-20;25-24-26-20(16-22-27-23(28-31(22)24)21-5-2-12-33-21)17-3-1-4-19(15-17)29-8-6-18(7-9-29)30-10-13-32-14-11-30/h2-8,13,16-18H,9-12,14-15,19H2,1H3,(H2,31,32);2-10,15,18-19H,11-14,16-17,20H2,1H3,(H2,30,31);2-10,15,18-19H,11-14,16-17H2,1H3,(H2,29,30);1-10,15-17H,11-14,18H2,(H2,27,28);4-8,13-16,18H,9-12H2,1-3H3,(H2,26,27);1-5,12,15-16,18H,6-11,13-14H2,(H2,25,26).
What are the key properties of N-[1-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperidin-4-yl]-N,2-dimethylpropanamide;7-[3-(4-benzylpiperazin-1-yl)phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]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)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
N-[1-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperidin-4-yl]-N,2-dimethylpropanamide;7-[3-(4-benzylpiperazin-1-yl)phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]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)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 2937.42 g/mol, XLogP of 22.69, 40 rotatable bonds, 6 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperidin-4-yl]-N,2-dimethylpropanamide;7-[3-(4-benzylpiperazin-1-yl)phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]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)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 161417281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).