1-[[4-cyclopropyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-ethyl-2,3-dihydroindol-1-yl)ethanone;1-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-ethylphenyl)propan-2-one;2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;1-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-(5-ethyl-2,3-dihydroindol-1-yl)-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone;1-(4-ethylphenyl)-3-[[5-(1-methylpyrazol-4-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-[[4-ethyl-5-(1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one

C211H235N45O10S11 — CID 159022617

IUPAC1-[[4-cyclopropyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-ethyl-2,3-dihydroindol-1-yl)ethanone;1-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-ethylphenyl)propan-2-one;2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;1-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-(5-ethyl-2,3-dihydroindol-1-yl)-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone;1-(4-ethylphenyl)-3-[[5-(1-methylpyrazol-4-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-[[4-ethyl-5-(1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one
SMILESCC(C)c1ccc(CC(=O)CSc2nnc(-c3cccnc3)n2C2CC2)cc1.CC(C)c1ccc(CC(=O)CSc2nnc(-c3ccncc3)n2C2CC2)cc1.CC(C)c1ccc(CC(=O)CSc2nnc(-c3cnn(C)c3)n2C2CC2)cc1.CCCn1c(SCC(=O)Cc2ccc(CC)cc2)nnc1-c1cnn(C)c1.CCCn1c(SCC(=O)N2CCc3cc(CC)ccc32)nnc1-c1cccnc1.CCc1ccc(CC(=O)CSc2nnc(-c3cccnc3)n2C2CC2)cc1.CCc1ccc2c(c1)CCN2C(=O)CSc1nnc(-c2ccncc2)n1C1CC1.CCn1c(SCC(=O)Cc2ccc(C(C)C)cc2)nnc1-c1ccncc1.CCn1c(SCC(=O)Cc2ccc(C(C)C)cc2)nnc1-c1cncs1.Cc1ccc2c(c1)CCN2C(=O)CSc1nnc(-c2cccnc2)n1C1CC1
InChIInChI=1S/C22H23N5OS.C22H25N5OS.2C22H24N4OS.C21H21N5OS.C21H25N5OS.C21H22N4OS.C21H24N4OS.C20H25N5OS.C19H22N4OS2/c1-2-15-3-6-19-17(13-15)9-12-26(19)20(28)14-29-22-25-24-21(27(22)18-4-5-18)16-7-10-23-11-8-16;1-3-11-27-21(18-6-5-10-23-14-18)24-25-22(27)29-15-20(28)26-12-9-17-13-16(4-2)7-8-19(17)26;1-15(2)17-5-3-16(4-6-17)13-20(27)14-28-22-25-24-21(26(22)19-7-8-19)18-9-11-23-12-10-18;1-15(2)17-7-5-16(6-8-17)12-20(27)14-28-22-25-24-21(26(22)19-9-10-19)18-4-3-11-23-13-18;1-14-4-7-18-15(11-14)8-10-25(18)19(27)13-28-21-24-23-20(26(21)17-5-6-17)16-3-2-9-22-12-16;1-14(2)16-6-4-15(5-7-16)10-19(27)13-28-21-24-23-20(26(21)18-8-9-18)17-11-22-25(3)12-17;1-2-15-5-7-16(8-6-15)12-19(26)14-27-21-24-23-20(25(21)18-9-10-18)17-4-3-11-22-13-17;1-4-25-20(18-9-11-22-12-10-18)23-24-21(25)27-14-19(26)13-16-5-7-17(8-6-16)15(2)3;1-4-10-25-19(17-12-21-24(3)13-17)22-23-20(25)27-14-18(26)11-16-8-6-15(5-2)7-9-16;1-4-23-18(17-10-20-12-26-17)21-22-19(23)25-11-16(24)9-14-5-7-15(8-6-14)13(2)3/h3,6-8,10-11,13,18H,2,4-5,9,12,14H2,1H3;5-8,10,13-14H,3-4,9,11-12,15H2,1-2H3;3-6,9-12,15,19H,7-8,13-14H2,1-2H3;3-8,11,13,15,19H,9-10,12,14H2,1-2H3;2-4,7,9,11-12,17H,5-6,8,10,13H2,1H3;4-7,11-12,14,18H,8-10,13H2,1-3H3;3-8,11,13,18H,2,9-10,12,14H2,1H3;5-12,15H,4,13-14H2,1-3H3;6-9,12-13H,4-5,10-11,14H2,1-3H3;5-8,10,12-13H,4,9,11H2,1-3H3
InChIKeyJTWSEYSFYGQDQM-UHFFFAOYSA-N
MW3914.24 g/mol
LogP41.56
Rot. Bonds75

About 1-[[4-cyclopropyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-ethyl-2,3-dihydroindol-1-yl)ethanone;1-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-ethylphenyl)propan-2-one;2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;1-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-(5-ethyl-2,3-dihydroindol-1-yl)-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone;1-(4-ethylphenyl)-3-[[5-(1-methylpyrazol-4-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-[[4-ethyl-5-(1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one

1-[[4-cyclopropyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-ethyl-2,3-dihydroindol-1-yl)ethanone;1-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-ethylphenyl)propan-2-one;2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;1-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-(5-ethyl-2,3-dihydroindol-1-yl)-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone;1-(4-ethylphenyl)-3-[[5-(1-methylpyrazol-4-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-[[4-ethyl-5-(1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one (PubChem CID 159022617) has the molecular formula C211H235N45O10S11 and a molecular weight of 3914.24 g/mol. Its IUPAC name is 1-[[4-cyclopropyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-ethyl-2,3-dihydroindol-1-yl)ethanone;1-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-ethylphenyl)propan-2-one;2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;1-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-(5-ethyl-2,3-dihydroindol-1-yl)-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone;1-(4-ethylphenyl)-3-[[5-(1-methylpyrazol-4-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-[[4-ethyl-5-(1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one.

Molecular Properties

Compound Name1-[[4-cyclopropyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-ethyl-2,3-dihydroindol-1-yl)ethanone;1-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-ethylphenyl)propan-2-one;2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;1-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-(5-ethyl-2,3-dihydroindol-1-yl)-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone;1-(4-ethylphenyl)-3-[[5-(1-methylpyrazol-4-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-[[4-ethyl-5-(1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one
PubChem CID159022617
Molecular FormulaC211H235N45O10S11
Molecular Weight3914.24 g/mol
Exact Mass3910.62
IUPAC Name1-[[4-cyclopropyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-ethyl-2,3-dihydroindol-1-yl)ethanone;1-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-ethylphenyl)propan-2-one;2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;1-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-(5-ethyl-2,3-dihydroindol-1-yl)-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone;1-(4-ethylphenyl)-3-[[5-(1-methylpyrazol-4-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-[[4-ethyl-5-(1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one
SMILESCC(C)c1ccc(CC(=O)CSc2nnc(-c3cccnc3)n2C2CC2)cc1.CC(C)c1ccc(CC(=O)CSc2nnc(-c3ccncc3)n2C2CC2)cc1.CC(C)c1ccc(CC(=O)CSc2nnc(-c3cnn(C)c3)n2C2CC2)cc1.CCCn1c(SCC(=O)Cc2ccc(CC)cc2)nnc1-c1cnn(C)c1.CCCn1c(SCC(=O)N2CCc3cc(CC)ccc32)nnc1-c1cccnc1.CCc1ccc(CC(=O)CSc2nnc(-c3cccnc3)n2C2CC2)cc1.CCc1ccc2c(c1)CCN2C(=O)CSc1nnc(-c2ccncc2)n1C1CC1.CCn1c(SCC(=O)Cc2ccc(C(C)C)cc2)nnc1-c1ccncc1.CCn1c(SCC(=O)Cc2ccc(C(C)C)cc2)nnc1-c1cncs1.Cc1ccc2c(c1)CCN2C(=O)CSc1nnc(-c2cccnc2)n1C1CC1
InChIInChI=1S/C22H23N5OS.C22H25N5OS.2C22H24N4OS.C21H21N5OS.C21H25N5OS.C21H22N4OS.C21H24N4OS.C20H25N5OS.C19H22N4OS2/c1-2-15-3-6-19-17(13-15)9-12-26(19)20(28)14-29-22-25-24-21(27(22)18-4-5-18)16-7-10-23-11-8-16;1-3-11-27-21(18-6-5-10-23-14-18)24-25-22(27)29-15-20(28)26-12-9-17-13-16(4-2)7-8-19(17)26;1-15(2)17-5-3-16(4-6-17)13-20(27)14-28-22-25-24-21(26(22)19-7-8-19)18-9-11-23-12-10-18;1-15(2)17-7-5-16(6-8-17)12-20(27)14-28-22-25-24-21(26(22)19-9-10-19)18-4-3-11-23-13-18;1-14-4-7-18-15(11-14)8-10-25(18)19(27)13-28-21-24-23-20(26(21)17-5-6-17)16-3-2-9-22-12-16;1-14(2)16-6-4-15(5-7-16)10-19(27)13-28-21-24-23-20(26(21)18-8-9-18)17-11-22-25(3)12-17;1-2-15-5-7-16(8-6-15)12-19(26)14-27-21-24-23-20(25(21)18-9-10-18)17-4-3-11-22-13-17;1-4-25-20(18-9-11-22-12-10-18)23-24-21(25)27-14-19(26)13-16-5-7-17(8-6-16)15(2)3;1-4-10-25-19(17-12-21-24(3)13-17)22-23-20(25)27-14-18(26)11-16-8-6-15(5-2)7-9-16;1-4-23-18(17-10-20-12-26-17)21-22-19(23)25-11-16(24)9-14-5-7-15(8-6-14)13(2)3/h3,6-8,10-11,13,18H,2,4-5,9,12,14H2,1H3;5-8,10,13-14H,3-4,9,11-12,15H2,1-2H3;3-6,9-12,15,19H,7-8,13-14H2,1-2H3;3-8,11,13,15,19H,9-10,12,14H2,1-2H3;2-4,7,9,11-12,17H,5-6,8,10,13H2,1H3;4-7,11-12,14,18H,8-10,13H2,1-3H3;3-8,11,13,18H,2,9-10,12,14H2,1H3;5-12,15H,4,13-14H2,1-3H3;6-9,12-13H,4-5,10-11,14H2,1-3H3;5-8,10,12-13H,4,9,11H2,1-3H3
InChIKeyJTWSEYSFYGQDQM-UHFFFAOYSA-N
XLogP41.56
TPSA626.28 Ų
H-Bond Donors
H-Bond Acceptors63
Rotatable Bonds75
Heavy Atoms277
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003914.24
LogP ≤ 541.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1063

Analyze 1-[[4-cyclopropyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-ethyl-2,3-dihydroindol-1-yl)ethanone;1-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-ethylphenyl)propan-2-one;2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;1-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-(5-ethyl-2,3-dihydroindol-1-yl)-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone;1-(4-ethylphenyl)-3-[[5-(1-methylpyrazol-4-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-[[4-ethyl-5-(1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-cyclopropyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-ethyl-2,3-dihydroindol-1-yl)ethanone;1-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-ethylphenyl)propan-2-one;2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;1-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-(5-ethyl-2,3-dihydroindol-1-yl)-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone;1-(4-ethylphenyl)-3-[[5-(1-methylpyrazol-4-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-[[4-ethyl-5-(1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one?
The IUPAC name of 1-[[4-cyclopropyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-ethyl-2,3-dihydroindol-1-yl)ethanone;1-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-ethylphenyl)propan-2-one;2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;1-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-(5-ethyl-2,3-dihydroindol-1-yl)-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone;1-(4-ethylphenyl)-3-[[5-(1-methylpyrazol-4-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-[[4-ethyl-5-(1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one (CID 159022617) is 1-[[4-cyclopropyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-ethyl-2,3-dihydroindol-1-yl)ethanone;1-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-ethylphenyl)propan-2-one;2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;1-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-(5-ethyl-2,3-dihydroindol-1-yl)-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone;1-(4-ethylphenyl)-3-[[5-(1-methylpyrazol-4-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-[[4-ethyl-5-(1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one.
What is the SMILES notation for 1-[[4-cyclopropyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-ethyl-2,3-dihydroindol-1-yl)ethanone;1-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-ethylphenyl)propan-2-one;2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;1-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-(5-ethyl-2,3-dihydroindol-1-yl)-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone;1-(4-ethylphenyl)-3-[[5-(1-methylpyrazol-4-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-[[4-ethyl-5-(1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one?
The canonical SMILES for 1-[[4-cyclopropyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-ethyl-2,3-dihydroindol-1-yl)ethanone;1-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-ethylphenyl)propan-2-one;2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;1-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-(5-ethyl-2,3-dihydroindol-1-yl)-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone;1-(4-ethylphenyl)-3-[[5-(1-methylpyrazol-4-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-[[4-ethyl-5-(1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one is CC(C)c1ccc(CC(=O)CSc2nnc(-c3cccnc3)n2C2CC2)cc1.CC(C)c1ccc(CC(=O)CSc2nnc(-c3ccncc3)n2C2CC2)cc1.CC(C)c1ccc(CC(=O)CSc2nnc(-c3cnn(C)c3)n2C2CC2)cc1.CCCn1c(SCC(=O)Cc2ccc(CC)cc2)nnc1-c1cnn(C)c1.CCCn1c(SCC(=O)N2CCc3cc(CC)ccc32)nnc1-c1cccnc1.CCc1ccc(CC(=O)CSc2nnc(-c3cccnc3)n2C2CC2)cc1.CCc1ccc2c(c1)CCN2C(=O)CSc1nnc(-c2ccncc2)n1C1CC1.CCn1c(SCC(=O)Cc2ccc(C(C)C)cc2)nnc1-c1ccncc1.CCn1c(SCC(=O)Cc2ccc(C(C)C)cc2)nnc1-c1cncs1.Cc1ccc2c(c1)CCN2C(=O)CSc1nnc(-c2cccnc2)n1C1CC1.
What is the InChIKey of 1-[[4-cyclopropyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-ethyl-2,3-dihydroindol-1-yl)ethanone;1-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-ethylphenyl)propan-2-one;2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;1-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-(5-ethyl-2,3-dihydroindol-1-yl)-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone;1-(4-ethylphenyl)-3-[[5-(1-methylpyrazol-4-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-[[4-ethyl-5-(1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one?
The InChIKey is JTWSEYSFYGQDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5OS.C22H25N5OS.2C22H24N4OS.C21H21N5OS.C21H25N5OS.C21H22N4OS.C21H24N4OS.C20H25N5OS.C19H22N4OS2/c1-2-15-3-6-19-17(13-15)9-12-26(19)20(28)14-29-22-25-24-21(27(22)18-4-5-18)16-7-10-23-11-8-16;1-3-11-27-21(18-6-5-10-23-14-18)24-25-22(27)29-15-20(28)26-12-9-17-13-16(4-2)7-8-19(17)26;1-15(2)17-5-3-16(4-6-17)13-20(27)14-28-22-25-24-21(26(22)19-7-8-19)18-9-11-23-12-10-18;1-15(2)17-7-5-16(6-8-17)12-20(27)14-28-22-25-24-21(26(22)19-9-10-19)18-4-3-11-23-13-18;1-14-4-7-18-15(11-14)8-10-25(18)19(27)13-28-21-24-23-20(26(21)17-5-6-17)16-3-2-9-22-12-16;1-14(2)16-6-4-15(5-7-16)10-19(27)13-28-21-24-23-20(26(21)18-8-9-18)17-11-22-25(3)12-17;1-2-15-5-7-16(8-6-15)12-19(26)14-27-21-24-23-20(25(21)18-9-10-18)17-4-3-11-22-13-17;1-4-25-20(18-9-11-22-12-10-18)23-24-21(25)27-14-19(26)13-16-5-7-17(8-6-16)15(2)3;1-4-10-25-19(17-12-21-24(3)13-17)22-23-20(25)27-14-18(26)11-16-8-6-15(5-2)7-9-16;1-4-23-18(17-10-20-12-26-17)21-22-19(23)25-11-16(24)9-14-5-7-15(8-6-14)13(2)3/h3,6-8,10-11,13,18H,2,4-5,9,12,14H2,1H3;5-8,10,13-14H,3-4,9,11-12,15H2,1-2H3;3-6,9-12,15,19H,7-8,13-14H2,1-2H3;3-8,11,13,15,19H,9-10,12,14H2,1-2H3;2-4,7,9,11-12,17H,5-6,8,10,13H2,1H3;4-7,11-12,14,18H,8-10,13H2,1-3H3;3-8,11,13,18H,2,9-10,12,14H2,1H3;5-12,15H,4,13-14H2,1-3H3;6-9,12-13H,4-5,10-11,14H2,1-3H3;5-8,10,12-13H,4,9,11H2,1-3H3.
What are the key properties of 1-[[4-cyclopropyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-ethyl-2,3-dihydroindol-1-yl)ethanone;1-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-ethylphenyl)propan-2-one;2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;1-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-(5-ethyl-2,3-dihydroindol-1-yl)-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone;1-(4-ethylphenyl)-3-[[5-(1-methylpyrazol-4-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-[[4-ethyl-5-(1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one?
1-[[4-cyclopropyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-ethyl-2,3-dihydroindol-1-yl)ethanone;1-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-ethylphenyl)propan-2-one;2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;1-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-(5-ethyl-2,3-dihydroindol-1-yl)-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone;1-(4-ethylphenyl)-3-[[5-(1-methylpyrazol-4-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-[[4-ethyl-5-(1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one has a molecular weight of 3914.24 g/mol, XLogP of 41.56, 75 rotatable bonds, 0 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-cyclopropyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-ethyl-2,3-dihydroindol-1-yl)ethanone;1-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-ethylphenyl)propan-2-one;2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;1-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-(5-ethyl-2,3-dihydroindol-1-yl)-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone;1-(4-ethylphenyl)-3-[[5-(1-methylpyrazol-4-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one;1-[[4-ethyl-5-(1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-propan-2-ylphenyl)propan-2-one is sourced from PubChem (CID 159022617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).