1-[4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone;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 4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazine-1-carboxylate;2-(furan-2-yl)-7-[3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-(4-propan-2-ylsulfonylpiperazin-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

C154H170N50O19S — CID 158125987

IUPAC1-[4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone;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 4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazine-1-carboxylate;2-(furan-2-yl)-7-[3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-(4-propan-2-ylsulfonylpiperazin-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.CC(C)S(=O)(=O)N1CCN(c2cccc(-c3cc4nc(-c5ccco5)nn4c(N)n3)c2)CC1.CCOC(=O)N1CCN(c2cccc(-c3cc4nc(-c5ccco5)nn4c(N)n3)c2)CC1.COCCN(Cc1c(OC)cccc1OC)c1cc2nc(-c3ccco3)nn2c(N)n1.Nc1nc(-c2cccc(N3CCN(C(=O)CN4CCOCC4)CC3)c2)cc2nc(-c3ccco3)nn12.Nc1nc(-c2cccc(N3CCN(CCN4CCOCC4)CC3)c2)cc2nc(-c3ccco3)nn12.Nc1nc(-c2ccncc2)cc2nc(-c3ccco3)nn12
InChIInChI=1S/C25H28N8O3.C25H30N8O3.C25H30N8O2.C22H25N7O3S.C22H23N7O3.C21H24N6O4.C14H10N6O/c26-25-27-20(16-22-28-24(29-33(22)25)21-5-2-12-36-21)18-3-1-4-19(15-18)31-6-8-32(9-7-31)23(34)17-30-10-13-35-14-11-30;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;26-25-27-21(18-23-28-24(29-33(23)25)22-5-2-14-35-22)19-3-1-4-20(17-19)32-10-8-30(9-11-32)6-7-31-12-15-34-16-13-31;1-15(2)33(30,31)28-10-8-27(9-11-28)17-6-3-5-16(13-17)18-14-20-25-21(19-7-4-12-32-19)26-29(20)22(23)24-18;1-2-31-22(30)28-10-8-27(9-11-28)16-6-3-5-15(13-16)17-14-19-25-20(18-7-4-12-32-18)26-29(19)21(23)24-17;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/h1-5,12,15-16H,6-11,13-14,17H2,(H2,26,27);4-9,14-15,27H,10-13,16H2,1-3H3,(H2,26,28);1-5,14,17-18H,6-13,15-16H2,(H2,26,27);3-7,12-15H,8-11H2,1-2H3,(H2,23,24);3-7,12-14H,2,8-11H2,1H3,(H2,23,24);4-8,10,12H,9,11,13H2,1-3H3,(H2,22,24);1-8H,(H2,15,17)
InChIKeyFSEHFXQRHWLAGB-UHFFFAOYSA-N
MW3057.45 g/mol
LogP17.41
Rot. Bonds36

About 1-[4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone;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 4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazine-1-carboxylate;2-(furan-2-yl)-7-[3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-(4-propan-2-ylsulfonylpiperazin-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

1-[4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone;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 4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazine-1-carboxylate;2-(furan-2-yl)-7-[3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-(4-propan-2-ylsulfonylpiperazin-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 158125987) has the molecular formula C154H170N50O19S and a molecular weight of 3057.45 g/mol. Its IUPAC name is 1-[4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone;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 4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazine-1-carboxylate;2-(furan-2-yl)-7-[3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-(4-propan-2-ylsulfonylpiperazin-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 Name1-[4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone;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 4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazine-1-carboxylate;2-(furan-2-yl)-7-[3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-(4-propan-2-ylsulfonylpiperazin-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 CID158125987
Molecular FormulaC154H170N50O19S
Molecular Weight3057.45 g/mol
Exact Mass3055.36
IUPAC Name1-[4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone;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 4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazine-1-carboxylate;2-(furan-2-yl)-7-[3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-(4-propan-2-ylsulfonylpiperazin-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.CC(C)S(=O)(=O)N1CCN(c2cccc(-c3cc4nc(-c5ccco5)nn4c(N)n3)c2)CC1.CCOC(=O)N1CCN(c2cccc(-c3cc4nc(-c5ccco5)nn4c(N)n3)c2)CC1.COCCN(Cc1c(OC)cccc1OC)c1cc2nc(-c3ccco3)nn2c(N)n1.Nc1nc(-c2cccc(N3CCN(C(=O)CN4CCOCC4)CC3)c2)cc2nc(-c3ccco3)nn12.Nc1nc(-c2cccc(N3CCN(CCN4CCOCC4)CC3)c2)cc2nc(-c3ccco3)nn12.Nc1nc(-c2ccncc2)cc2nc(-c3ccco3)nn12
InChIInChI=1S/C25H28N8O3.C25H30N8O3.C25H30N8O2.C22H25N7O3S.C22H23N7O3.C21H24N6O4.C14H10N6O/c26-25-27-20(16-22-28-24(29-33(22)25)21-5-2-12-36-21)18-3-1-4-19(15-18)31-6-8-32(9-7-31)23(34)17-30-10-13-35-14-11-30;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;26-25-27-21(18-23-28-24(29-33(23)25)22-5-2-14-35-22)19-3-1-4-20(17-19)32-10-8-30(9-11-32)6-7-31-12-15-34-16-13-31;1-15(2)33(30,31)28-10-8-27(9-11-28)17-6-3-5-16(13-17)18-14-20-25-21(19-7-4-12-32-19)26-29(20)22(23)24-18;1-2-31-22(30)28-10-8-27(9-11-28)16-6-3-5-15(13-16)17-14-19-25-20(18-7-4-12-32-18)26-29(19)21(23)24-17;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/h1-5,12,15-16H,6-11,13-14,17H2,(H2,26,27);4-9,14-15,27H,10-13,16H2,1-3H3,(H2,26,28);1-5,14,17-18H,6-13,15-16H2,(H2,26,27);3-7,12-15H,8-11H2,1-2H3,(H2,23,24);3-7,12-14H,2,8-11H2,1H3,(H2,23,24);4-8,10,12H,9,11,13H2,1-3H3,(H2,22,24);1-8H,(H2,15,17)
InChIKeyFSEHFXQRHWLAGB-UHFFFAOYSA-N
XLogP17.41
TPSA792.68 Ų
H-Bond Donors8
H-Bond Acceptors65
Rotatable Bonds36
Heavy Atoms224
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003057.45
LogP ≤ 517.41
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1065

Analyze 1-[4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone;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 4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazine-1-carboxylate;2-(furan-2-yl)-7-[3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-(4-propan-2-ylsulfonylpiperazin-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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Launch Full Analysis

Related Compounds

2-(furan-2-yl)-7-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
CID 23570349
1-[4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]ethanone
CID 23570263
2-(furan-2-yl)-7-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
CID 23570350
2-(furan-2-yl)-7-[2-[[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10174770
2-(furan-2-yl)-7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
CID 16679244
7-[3-[4-[(3,4-dimethoxyphenyl)methylamino]piperidin-1-yl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 23570297
methyl 4-[2-[[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazine-1-carboxylate;methyl 4-(2-hydroxyethyl)piperazine-1-carboxylate;methyl 4-[2-(methylamino)ethyl]piperazine-1-carboxylate;methyl 4-(2-methylsulfonyloxyethyl)piperazine-1-carboxylate;2-piperazin-1-ylethanol
CID 158442637
2-(4-bromophenoxy)ethanol;1-bromo-4-propoxybenzene;tert-butyl piperazine-1-carboxylate;tert-butyl 4-(4-propoxyphenyl)piperazine-1-carboxylate;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;ethyl 2-bromoacetate;ethyl 2-[4-(4-propoxyphenyl)piperazin-1-yl]acetate;methanesulfonyl chloride;7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-2-(1,3-oxazol-2-yl)-7-N-(trideuteriomethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;bis(1-(4-propoxyphenyl)piperazine);2-[4-(4-propoxyphenyl)piperazin-1-yl]ethanol;bis(2-[4-(4-propoxyphenyl)piperazin-1-yl]-N-(trideuteriomethyl)ethanamine);trideuteriomethanamine;hydrochloride
CID 167636280
2-(furan-2-yl)-7-N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
CID 23570355
1-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperidin-4-one;2-(furan-2-yl)-7-[3-(4-methylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 160513768
7-[3-[1-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 23570286
tert-butyl 4-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]piperidine-1-carboxylate
CID 118726012

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone;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 4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazine-1-carboxylate;2-(furan-2-yl)-7-[3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-(4-propan-2-ylsulfonylpiperazin-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 1-[4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone;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 4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazine-1-carboxylate;2-(furan-2-yl)-7-[3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-(4-propan-2-ylsulfonylpiperazin-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 158125987) is 1-[4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone;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 4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazine-1-carboxylate;2-(furan-2-yl)-7-[3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-(4-propan-2-ylsulfonylpiperazin-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 1-[4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone;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 4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazine-1-carboxylate;2-(furan-2-yl)-7-[3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-(4-propan-2-ylsulfonylpiperazin-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 1-[4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone;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 4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazine-1-carboxylate;2-(furan-2-yl)-7-[3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-(4-propan-2-ylsulfonylpiperazin-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.CC(C)S(=O)(=O)N1CCN(c2cccc(-c3cc4nc(-c5ccco5)nn4c(N)n3)c2)CC1.CCOC(=O)N1CCN(c2cccc(-c3cc4nc(-c5ccco5)nn4c(N)n3)c2)CC1.COCCN(Cc1c(OC)cccc1OC)c1cc2nc(-c3ccco3)nn2c(N)n1.Nc1nc(-c2cccc(N3CCN(C(=O)CN4CCOCC4)CC3)c2)cc2nc(-c3ccco3)nn12.Nc1nc(-c2cccc(N3CCN(CCN4CCOCC4)CC3)c2)cc2nc(-c3ccco3)nn12.Nc1nc(-c2ccncc2)cc2nc(-c3ccco3)nn12.
What is the InChIKey of 1-[4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone;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 4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazine-1-carboxylate;2-(furan-2-yl)-7-[3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-(4-propan-2-ylsulfonylpiperazin-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 FSEHFXQRHWLAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O3.C25H30N8O3.C25H30N8O2.C22H25N7O3S.C22H23N7O3.C21H24N6O4.C14H10N6O/c26-25-27-20(16-22-28-24(29-33(22)25)21-5-2-12-36-21)18-3-1-4-19(15-18)31-6-8-32(9-7-31)23(34)17-30-10-13-35-14-11-30;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;26-25-27-21(18-23-28-24(29-33(23)25)22-5-2-14-35-22)19-3-1-4-20(17-19)32-10-8-30(9-11-32)6-7-31-12-15-34-16-13-31;1-15(2)33(30,31)28-10-8-27(9-11-28)17-6-3-5-16(13-17)18-14-20-25-21(19-7-4-12-32-19)26-29(20)22(23)24-18;1-2-31-22(30)28-10-8-27(9-11-28)16-6-3-5-15(13-16)17-14-19-25-20(18-7-4-12-32-18)26-29(19)21(23)24-17;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/h1-5,12,15-16H,6-11,13-14,17H2,(H2,26,27);4-9,14-15,27H,10-13,16H2,1-3H3,(H2,26,28);1-5,14,17-18H,6-13,15-16H2,(H2,26,27);3-7,12-15H,8-11H2,1-2H3,(H2,23,24);3-7,12-14H,2,8-11H2,1H3,(H2,23,24);4-8,10,12H,9,11,13H2,1-3H3,(H2,22,24);1-8H,(H2,15,17).
What are the key properties of 1-[4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone;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 4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazine-1-carboxylate;2-(furan-2-yl)-7-[3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-(4-propan-2-ylsulfonylpiperazin-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?
1-[4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone;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 4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazine-1-carboxylate;2-(furan-2-yl)-7-[3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-(4-propan-2-ylsulfonylpiperazin-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 3057.45 g/mol, XLogP of 17.41, 36 rotatable bonds, 8 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone;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 4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazine-1-carboxylate;2-(furan-2-yl)-7-[3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-(4-propan-2-ylsulfonylpiperazin-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 158125987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).