N-[1-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperidin-4-yl]-N-ethyl-2-methylpropanamide;tert-butyl 4-[2-[[[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]amino]methyl]phenyl]piperazine-1-carboxylate;7-N-[(2,6-dimethoxyphenyl)methyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;ethyl N-[1-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperidin-4-yl]-N-ethylcarbamate;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-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C164H182N48O18 — CID 159956001

IUPACN-[1-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperidin-4-yl]-N-ethyl-2-methylpropanamide;tert-butyl 4-[2-[[[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]amino]methyl]phenyl]piperazine-1-carboxylate;7-N-[(2,6-dimethoxyphenyl)methyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;ethyl N-[1-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperidin-4-yl]-N-ethylcarbamate;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-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCC(C)(C)OC(=O)N1CCN(c2ccccc2CNc2cc3nc(-c4ccco4)nn3c(N)n2)CC1.CCN(C(=O)C(C)C)C1CCN(c2cccc(-c3cc4nc(-c5ccco5)nn4c(N)n3)c2)CC1.CCOC(=O)N(CC)C1CCN(c2cccc(-c3cc4nc(-c5ccco5)nn4c(N)n3)c2)CC1.COCCN(Cc1c(OC)cccc1OC)c1cc2nc(-c3ccco3)nn2c(N)n1.COCCOc1ccc(N2CCN(Cc3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)cc1.Nc1nc(-c2cccc(N3CCC(N4CCOCC4)CC3)c2)cc2nc(-c3ccco3)nn12.Nc1nc(-c2ccncc2)cc2nc(-c3ccco3)nn12
InChIInChI=1S/C29H31N7O3.C26H31N7O2.C25H30N8O3.C25H29N7O3.C24H27N7O2.C21H24N6O4.C14H10N6O/c1-37-16-17-38-24-9-7-23(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;1-4-32(25(34)17(2)3)19-10-12-31(13-11-19)20-8-5-7-18(15-20)21-16-23-29-24(22-9-6-14-35-22)30-33(23)26(27)28-21;1-25(2,3)36-24(34)32-12-10-31(11-13-32)18-8-5-4-7-17(18)16-27-20-15-21-29-22(19-9-6-14-35-19)30-33(21)23(26)28-20;1-3-31(25(33)34-4-2)18-10-12-30(13-11-18)19-8-5-7-17(15-19)20-16-22-28-23(21-9-6-14-35-21)29-32(22)24(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;1-28-11-9-26(13-14-15(29-2)6-4-7-16(14)30-3)18-12-19-23-20(17-8-5-10-31-17)25-27(19)21(22)24-18;15-14-17-10(9-3-5-16-6-4-9)8-12-18-13(19-20(12)14)11-2-1-7-21-11/h2-10,15,18-19H,11-14,16-17,20H2,1H3,(H2,30,31);5-9,14-17,19H,4,10-13H2,1-3H3,(H2,27,28);4-9,14-15,27H,10-13,16H2,1-3H3,(H2,26,28);5-9,14-16,18H,3-4,10-13H2,1-2H3,(H2,26,27);1-5,12,15-16,18H,6-11,13-14H2,(H2,25,26);4-8,10,12H,9,11,13H2,1-3H3,(H2,22,24);1-8H,(H2,15,17)
InChIKeyOCSMERNDPJGZGG-UHFFFAOYSA-N
MW3113.58 g/mol
LogP23.40
Rot. Bonds41

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-ethyl-2-methylpropanamide;tert-butyl 4-[2-[[[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]amino]methyl]phenyl]piperazine-1-carboxylate;7-N-[(2,6-dimethoxyphenyl)methyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;ethyl N-[1-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperidin-4-yl]-N-ethylcarbamate;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-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-pyridin-4-yl-[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-ethyl-2-methylpropanamide;tert-butyl 4-[2-[[[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]amino]methyl]phenyl]piperazine-1-carboxylate;7-N-[(2,6-dimethoxyphenyl)methyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;ethyl N-[1-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperidin-4-yl]-N-ethylcarbamate;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-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 159956001) has the molecular formula C164H182N48O18 and a molecular weight of 3113.58 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-ethyl-2-methylpropanamide;tert-butyl 4-[2-[[[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]amino]methyl]phenyl]piperazine-1-carboxylate;7-N-[(2,6-dimethoxyphenyl)methyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;ethyl N-[1-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperidin-4-yl]-N-ethylcarbamate;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-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-pyridin-4-yl-[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-ethyl-2-methylpropanamide;tert-butyl 4-[2-[[[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]amino]methyl]phenyl]piperazine-1-carboxylate;7-N-[(2,6-dimethoxyphenyl)methyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;ethyl N-[1-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperidin-4-yl]-N-ethylcarbamate;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-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID159956001
Molecular FormulaC164H182N48O18
Molecular Weight3113.58 g/mol
Exact Mass3111.48
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-ethyl-2-methylpropanamide;tert-butyl 4-[2-[[[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]amino]methyl]phenyl]piperazine-1-carboxylate;7-N-[(2,6-dimethoxyphenyl)methyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;ethyl N-[1-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperidin-4-yl]-N-ethylcarbamate;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-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCC(C)(C)OC(=O)N1CCN(c2ccccc2CNc2cc3nc(-c4ccco4)nn3c(N)n2)CC1.CCN(C(=O)C(C)C)C1CCN(c2cccc(-c3cc4nc(-c5ccco5)nn4c(N)n3)c2)CC1.CCOC(=O)N(CC)C1CCN(c2cccc(-c3cc4nc(-c5ccco5)nn4c(N)n3)c2)CC1.COCCN(Cc1c(OC)cccc1OC)c1cc2nc(-c3ccco3)nn2c(N)n1.COCCOc1ccc(N2CCN(Cc3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)cc1.Nc1nc(-c2cccc(N3CCC(N4CCOCC4)CC3)c2)cc2nc(-c3ccco3)nn12.Nc1nc(-c2ccncc2)cc2nc(-c3ccco3)nn12
InChIInChI=1S/C29H31N7O3.C26H31N7O2.C25H30N8O3.C25H29N7O3.C24H27N7O2.C21H24N6O4.C14H10N6O/c1-37-16-17-38-24-9-7-23(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;1-4-32(25(34)17(2)3)19-10-12-31(13-11-19)20-8-5-7-18(15-20)21-16-23-29-24(22-9-6-14-35-22)30-33(23)26(27)28-21;1-25(2,3)36-24(34)32-12-10-31(11-13-32)18-8-5-4-7-17(18)16-27-20-15-21-29-22(19-9-6-14-35-19)30-33(21)23(26)28-20;1-3-31(25(33)34-4-2)18-10-12-30(13-11-18)19-8-5-7-17(15-19)20-16-22-28-23(21-9-6-14-35-21)29-32(22)24(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;1-28-11-9-26(13-14-15(29-2)6-4-7-16(14)30-3)18-12-19-23-20(17-8-5-10-31-17)25-27(19)21(22)24-18;15-14-17-10(9-3-5-16-6-4-9)8-12-18-13(19-20(12)14)11-2-1-7-21-11/h2-10,15,18-19H,11-14,16-17,20H2,1H3,(H2,30,31);5-9,14-17,19H,4,10-13H2,1-3H3,(H2,27,28);4-9,14-15,27H,10-13,16H2,1-3H3,(H2,26,28);5-9,14-16,18H,3-4,10-13H2,1-2H3,(H2,26,27);1-5,12,15-16,18H,6-11,13-14H2,(H2,25,26);4-8,10,12H,9,11,13H2,1-3H3,(H2,22,24);1-8H,(H2,15,17)
InChIKeyOCSMERNDPJGZGG-UHFFFAOYSA-N
XLogP23.40
TPSA761.29 Ų
H-Bond Donors8
H-Bond Acceptors63
Rotatable Bonds41
Heavy Atoms230
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003113.58
LogP ≤ 523.40
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1063

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-ethyl-2-methylpropanamide;tert-butyl 4-[2-[[[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]amino]methyl]phenyl]piperazine-1-carboxylate;7-N-[(2,6-dimethoxyphenyl)methyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;ethyl N-[1-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperidin-4-yl]-N-ethylcarbamate;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-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-pyridin-4-yl-[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-ethyl-2-methylpropanamide;tert-butyl 4-[2-[[[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]amino]methyl]phenyl]piperazine-1-carboxylate;7-N-[(2,6-dimethoxyphenyl)methyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;ethyl N-[1-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperidin-4-yl]-N-ethylcarbamate;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-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-pyridin-4-yl-[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-ethyl-2-methylpropanamide;tert-butyl 4-[2-[[[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]amino]methyl]phenyl]piperazine-1-carboxylate;7-N-[(2,6-dimethoxyphenyl)methyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;ethyl N-[1-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperidin-4-yl]-N-ethylcarbamate;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-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 159956001) 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-ethyl-2-methylpropanamide;tert-butyl 4-[2-[[[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]amino]methyl]phenyl]piperazine-1-carboxylate;7-N-[(2,6-dimethoxyphenyl)methyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;ethyl N-[1-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperidin-4-yl]-N-ethylcarbamate;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-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-pyridin-4-yl-[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-ethyl-2-methylpropanamide;tert-butyl 4-[2-[[[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]amino]methyl]phenyl]piperazine-1-carboxylate;7-N-[(2,6-dimethoxyphenyl)methyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;ethyl N-[1-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperidin-4-yl]-N-ethylcarbamate;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-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-pyridin-4-yl-[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-ethyl-2-methylpropanamide;tert-butyl 4-[2-[[[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]amino]methyl]phenyl]piperazine-1-carboxylate;7-N-[(2,6-dimethoxyphenyl)methyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;ethyl N-[1-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperidin-4-yl]-N-ethylcarbamate;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-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is CC(C)(C)OC(=O)N1CCN(c2ccccc2CNc2cc3nc(-c4ccco4)nn3c(N)n2)CC1.CCN(C(=O)C(C)C)C1CCN(c2cccc(-c3cc4nc(-c5ccco5)nn4c(N)n3)c2)CC1.CCOC(=O)N(CC)C1CCN(c2cccc(-c3cc4nc(-c5ccco5)nn4c(N)n3)c2)CC1.COCCN(Cc1c(OC)cccc1OC)c1cc2nc(-c3ccco3)nn2c(N)n1.COCCOc1ccc(N2CCN(Cc3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)cc1.Nc1nc(-c2cccc(N3CCC(N4CCOCC4)CC3)c2)cc2nc(-c3ccco3)nn12.Nc1nc(-c2ccncc2)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-ethyl-2-methylpropanamide;tert-butyl 4-[2-[[[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]amino]methyl]phenyl]piperazine-1-carboxylate;7-N-[(2,6-dimethoxyphenyl)methyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;ethyl N-[1-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperidin-4-yl]-N-ethylcarbamate;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-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is OCSMERNDPJGZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7O3.C26H31N7O2.C25H30N8O3.C25H29N7O3.C24H27N7O2.C21H24N6O4.C14H10N6O/c1-37-16-17-38-24-9-7-23(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;1-4-32(25(34)17(2)3)19-10-12-31(13-11-19)20-8-5-7-18(15-20)21-16-23-29-24(22-9-6-14-35-22)30-33(23)26(27)28-21;1-25(2,3)36-24(34)32-12-10-31(11-13-32)18-8-5-4-7-17(18)16-27-20-15-21-29-22(19-9-6-14-35-19)30-33(21)23(26)28-20;1-3-31(25(33)34-4-2)18-10-12-30(13-11-18)19-8-5-7-17(15-19)20-16-22-28-23(21-9-6-14-35-21)29-32(22)24(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;1-28-11-9-26(13-14-15(29-2)6-4-7-16(14)30-3)18-12-19-23-20(17-8-5-10-31-17)25-27(19)21(22)24-18;15-14-17-10(9-3-5-16-6-4-9)8-12-18-13(19-20(12)14)11-2-1-7-21-11/h2-10,15,18-19H,11-14,16-17,20H2,1H3,(H2,30,31);5-9,14-17,19H,4,10-13H2,1-3H3,(H2,27,28);4-9,14-15,27H,10-13,16H2,1-3H3,(H2,26,28);5-9,14-16,18H,3-4,10-13H2,1-2H3,(H2,26,27);1-5,12,15-16,18H,6-11,13-14H2,(H2,25,26);4-8,10,12H,9,11,13H2,1-3H3,(H2,22,24);1-8H,(H2,15,17).
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-ethyl-2-methylpropanamide;tert-butyl 4-[2-[[[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]amino]methyl]phenyl]piperazine-1-carboxylate;7-N-[(2,6-dimethoxyphenyl)methyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;ethyl N-[1-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperidin-4-yl]-N-ethylcarbamate;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-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-pyridin-4-yl-[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-ethyl-2-methylpropanamide;tert-butyl 4-[2-[[[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]amino]methyl]phenyl]piperazine-1-carboxylate;7-N-[(2,6-dimethoxyphenyl)methyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;ethyl N-[1-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperidin-4-yl]-N-ethylcarbamate;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-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 3113.58 g/mol, XLogP of 23.40, 41 rotatable bonds, 8 hydrogen bond donors, and 63 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-ethyl-2-methylpropanamide;tert-butyl 4-[2-[[[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]amino]methyl]phenyl]piperazine-1-carboxylate;7-N-[(2,6-dimethoxyphenyl)methyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;ethyl N-[1-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperidin-4-yl]-N-ethylcarbamate;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-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 159956001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).