N-tert-butyl-4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide;N-ethyl-4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carbothioamide;N-ethyl-4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide;5-[2-(furan-2-yl)ethyl]-8-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone

C144H155FN38O15S3 — CID 158816908

IUPACN-tert-butyl-4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide;N-ethyl-4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carbothioamide;N-ethyl-4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide;5-[2-(furan-2-yl)ethyl]-8-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone
SMILESCC(=O)N1CC=C(c2cnc(CCc3ccco3)n3cnnc23)CC1.CC(C)(C)NC(=O)N1CC=C(c2cnc(CCc3ccco3)n3cnnc23)CC1.CCNC(=O)N1CC=C(c2cnc(CCc3ccco3)n3cnnc23)CC1.CCNC(=S)N1CC=C(c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)CC1.CS(=O)(=O)N1CC=C(c2cnc(CCc3ccco3)n3cnnc23)CC1.Cc1ccc(S(=O)(=O)N2CC=C(c3cnc(CCc4ccco4)n4cnnc34)CC2)cc1.O=C(c1ccccc1)N1CC=C(c2cnc(CCc3ccco3)n3cnnc23)CC1
InChIInChI=1S/C23H25FN6OS.C23H23N5O3S.C23H21N5O2.C21H26N6O2.C19H22N6O2.C18H19N5O2.C17H19N5O3S/c1-2-25-23(32)29-10-7-15(8-11-29)18-13-26-21(30-14-27-28-22(18)30)6-3-16-17-9-12-31-20(17)5-4-19(16)24;1-17-4-7-20(8-5-17)32(29,30)27-12-10-18(11-13-27)21-15-24-22(28-16-25-26-23(21)28)9-6-19-3-2-14-31-19;29-23(18-5-2-1-3-6-18)27-12-10-17(11-13-27)20-15-24-21(28-16-25-26-22(20)28)9-8-19-7-4-14-30-19;1-21(2,3)24-20(28)26-10-8-15(9-11-26)17-13-22-18(27-14-23-25-19(17)27)7-6-16-5-4-12-29-16;1-2-20-19(26)24-9-7-14(8-10-24)16-12-21-17(25-13-22-23-18(16)25)6-5-15-4-3-11-27-15;1-13(24)22-8-6-14(7-9-22)16-11-19-17(23-12-20-21-18(16)23)5-4-15-3-2-10-25-15;1-26(23,24)21-8-6-13(7-9-21)15-11-18-16(22-12-19-20-17(15)22)5-4-14-3-2-10-25-14/h4-5,7,13-14H,2-3,6,8-12H2,1H3,(H,25,32);2-5,7-8,10,14-16H,6,9,11-13H2,1H3;1-7,10,14-16H,8-9,11-13H2;4-5,8,12-14H,6-7,9-11H2,1-3H3,(H,24,28);3-4,7,11-13H,2,5-6,8-10H2,1H3,(H,20,26);2-3,6,10-12H,4-5,7-9H2,1H3;2-3,6,10-12H,4-5,7-9H2,1H3
InChIKeyIVJPKOSEDXJXEU-UHFFFAOYSA-N
MW2773.27 g/mol
LogP18.80
Rot. Bonds34

About N-tert-butyl-4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide;N-ethyl-4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carbothioamide;N-ethyl-4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide;5-[2-(furan-2-yl)ethyl]-8-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone

N-tert-butyl-4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide;N-ethyl-4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carbothioamide;N-ethyl-4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide;5-[2-(furan-2-yl)ethyl]-8-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone (PubChem CID 158816908) has the molecular formula C144H155FN38O15S3 and a molecular weight of 2773.27 g/mol. Its IUPAC name is N-tert-butyl-4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide;N-ethyl-4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carbothioamide;N-ethyl-4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide;5-[2-(furan-2-yl)ethyl]-8-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone.

Molecular Properties

Compound NameN-tert-butyl-4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide;N-ethyl-4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carbothioamide;N-ethyl-4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide;5-[2-(furan-2-yl)ethyl]-8-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone
PubChem CID158816908
Molecular FormulaC144H155FN38O15S3
Molecular Weight2773.27 g/mol
Exact Mass2771.17
IUPAC NameN-tert-butyl-4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide;N-ethyl-4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carbothioamide;N-ethyl-4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide;5-[2-(furan-2-yl)ethyl]-8-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone
SMILESCC(=O)N1CC=C(c2cnc(CCc3ccco3)n3cnnc23)CC1.CC(C)(C)NC(=O)N1CC=C(c2cnc(CCc3ccco3)n3cnnc23)CC1.CCNC(=O)N1CC=C(c2cnc(CCc3ccco3)n3cnnc23)CC1.CCNC(=S)N1CC=C(c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)CC1.CS(=O)(=O)N1CC=C(c2cnc(CCc3ccco3)n3cnnc23)CC1.Cc1ccc(S(=O)(=O)N2CC=C(c3cnc(CCc4ccco4)n4cnnc34)CC2)cc1.O=C(c1ccccc1)N1CC=C(c2cnc(CCc3ccco3)n3cnnc23)CC1
InChIInChI=1S/C23H25FN6OS.C23H23N5O3S.C23H21N5O2.C21H26N6O2.C19H22N6O2.C18H19N5O2.C17H19N5O3S/c1-2-25-23(32)29-10-7-15(8-11-29)18-13-26-21(30-14-27-28-22(18)30)6-3-16-17-9-12-31-20(17)5-4-19(16)24;1-17-4-7-20(8-5-17)32(29,30)27-12-10-18(11-13-27)21-15-24-22(28-16-25-26-23(21)28)9-6-19-3-2-14-31-19;29-23(18-5-2-1-3-6-18)27-12-10-17(11-13-27)20-15-24-21(28-16-25-26-22(20)28)9-8-19-7-4-14-30-19;1-21(2,3)24-20(28)26-10-8-15(9-11-26)17-13-22-18(27-14-23-25-19(17)27)7-6-16-5-4-12-29-16;1-2-20-19(26)24-9-7-14(8-10-24)16-12-21-17(25-13-22-23-18(16)25)6-5-15-4-3-11-27-15;1-13(24)22-8-6-14(7-9-22)16-11-19-17(23-12-20-21-18(16)23)5-4-15-3-2-10-25-15;1-26(23,24)21-8-6-13(7-9-21)15-11-18-16(22-12-19-20-17(15)22)5-4-14-3-2-10-25-14/h4-5,7,13-14H,2-3,6,8-12H2,1H3,(H,25,32);2-5,7-8,10,14-16H,6,9,11-13H2,1H3;1-7,10,14-16H,8-9,11-13H2;4-5,8,12-14H,6-7,9-11H2,1-3H3,(H,24,28);3-4,7,11-13H,2,5-6,8-10H2,1H3,(H,20,26);2-3,6,10-12H,4-5,7-9H2,1H3;2-3,6,10-12H,4-5,7-9H2,1H3
InChIKeyIVJPKOSEDXJXEU-UHFFFAOYSA-N
XLogP18.80
TPSA584.96 Ų
H-Bond Donors3
H-Bond Acceptors44
Rotatable Bonds34
Heavy Atoms201
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002773.27
LogP ≤ 518.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-tert-butyl-4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide;N-ethyl-4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carbothioamide;N-ethyl-4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide;5-[2-(furan-2-yl)ethyl]-8-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide;N-ethyl-4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carbothioamide;N-ethyl-4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide;5-[2-(furan-2-yl)ethyl]-8-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone?
The IUPAC name of N-tert-butyl-4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide;N-ethyl-4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carbothioamide;N-ethyl-4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide;5-[2-(furan-2-yl)ethyl]-8-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone (CID 158816908) is N-tert-butyl-4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide;N-ethyl-4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carbothioamide;N-ethyl-4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide;5-[2-(furan-2-yl)ethyl]-8-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone.
What is the SMILES notation for N-tert-butyl-4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide;N-ethyl-4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carbothioamide;N-ethyl-4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide;5-[2-(furan-2-yl)ethyl]-8-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone?
The canonical SMILES for N-tert-butyl-4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide;N-ethyl-4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carbothioamide;N-ethyl-4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide;5-[2-(furan-2-yl)ethyl]-8-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone is CC(=O)N1CC=C(c2cnc(CCc3ccco3)n3cnnc23)CC1.CC(C)(C)NC(=O)N1CC=C(c2cnc(CCc3ccco3)n3cnnc23)CC1.CCNC(=O)N1CC=C(c2cnc(CCc3ccco3)n3cnnc23)CC1.CCNC(=S)N1CC=C(c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)CC1.CS(=O)(=O)N1CC=C(c2cnc(CCc3ccco3)n3cnnc23)CC1.Cc1ccc(S(=O)(=O)N2CC=C(c3cnc(CCc4ccco4)n4cnnc34)CC2)cc1.O=C(c1ccccc1)N1CC=C(c2cnc(CCc3ccco3)n3cnnc23)CC1.
What is the InChIKey of N-tert-butyl-4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide;N-ethyl-4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carbothioamide;N-ethyl-4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide;5-[2-(furan-2-yl)ethyl]-8-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone?
The InChIKey is IVJPKOSEDXJXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6OS.C23H23N5O3S.C23H21N5O2.C21H26N6O2.C19H22N6O2.C18H19N5O2.C17H19N5O3S/c1-2-25-23(32)29-10-7-15(8-11-29)18-13-26-21(30-14-27-28-22(18)30)6-3-16-17-9-12-31-20(17)5-4-19(16)24;1-17-4-7-20(8-5-17)32(29,30)27-12-10-18(11-13-27)21-15-24-22(28-16-25-26-23(21)28)9-6-19-3-2-14-31-19;29-23(18-5-2-1-3-6-18)27-12-10-17(11-13-27)20-15-24-21(28-16-25-26-22(20)28)9-8-19-7-4-14-30-19;1-21(2,3)24-20(28)26-10-8-15(9-11-26)17-13-22-18(27-14-23-25-19(17)27)7-6-16-5-4-12-29-16;1-2-20-19(26)24-9-7-14(8-10-24)16-12-21-17(25-13-22-23-18(16)25)6-5-15-4-3-11-27-15;1-13(24)22-8-6-14(7-9-22)16-11-19-17(23-12-20-21-18(16)23)5-4-15-3-2-10-25-15;1-26(23,24)21-8-6-13(7-9-21)15-11-18-16(22-12-19-20-17(15)22)5-4-14-3-2-10-25-14/h4-5,7,13-14H,2-3,6,8-12H2,1H3,(H,25,32);2-5,7-8,10,14-16H,6,9,11-13H2,1H3;1-7,10,14-16H,8-9,11-13H2;4-5,8,12-14H,6-7,9-11H2,1-3H3,(H,24,28);3-4,7,11-13H,2,5-6,8-10H2,1H3,(H,20,26);2-3,6,10-12H,4-5,7-9H2,1H3;2-3,6,10-12H,4-5,7-9H2,1H3.
What are the key properties of N-tert-butyl-4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide;N-ethyl-4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carbothioamide;N-ethyl-4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide;5-[2-(furan-2-yl)ethyl]-8-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone?
N-tert-butyl-4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide;N-ethyl-4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carbothioamide;N-ethyl-4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide;5-[2-(furan-2-yl)ethyl]-8-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone has a molecular weight of 2773.27 g/mol, XLogP of 18.80, 34 rotatable bonds, 3 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide;N-ethyl-4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carbothioamide;N-ethyl-4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide;5-[2-(furan-2-yl)ethyl]-8-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[4,3-c]pyrimidine;5-[2-(furan-2-yl)ethyl]-8-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;[4-[5-[2-(furan-2-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone is sourced from PubChem (CID 158816908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).