2-cyclopropyl-8-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;4-(difluoromethoxy)-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;4-[1-fluoro-7-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]naphthalen-2-yl]morpholine;4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;3-methyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]oxazolo[4,5-c]quinolin-2-one;4-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]morpholine

C158H124F4N48O6S9 — CID 158911811

IUPAC2-cyclopropyl-8-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;4-(difluoromethoxy)-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;4-[1-fluoro-7-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]naphthalen-2-yl]morpholine;4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;3-methyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]oxazolo[4,5-c]quinolin-2-one;4-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]morpholine
SMILESCOc1ccnc2ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc12.Cn1cc(-c2cc(F)c3nnc(Sc4ccc5ncc6nc(C7CC7)sc6c5c4)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5ccc(N6CCOCC6)c(F)c5c4)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(-c6cnn(C)c6)c(OC(F)F)c5c4)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5ncc6c(oc(=O)n6C)c5c4)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5ncc6nc(C7CC7)sc6c5c4)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5nccc(N6CCOCC6)c5c4)n3c2)cn1
InChIInChI=1S/C24H18F2N8OS.C24H21FN6OS.C23H16FN7S2.C23H21N7OS.C23H17N7S2.C21H15N7O2S.C20H16N6OS/c1-32-11-15(8-28-32)14-3-6-21-30-31-24(34(21)13-14)36-17-4-5-20-18(7-17)22(35-23(25)26)19(10-27-20)16-9-29-33(2)12-16;1-29-14-18(13-26-29)17-4-7-22-27-28-24(31(22)15-17)33-19-5-2-16-3-6-21(23(25)20(16)12-19)30-8-10-32-11-9-30;1-30-10-14(8-26-30)13-6-17(24)21-28-29-23(31(21)11-13)32-15-4-5-18-16(7-15)20-19(9-25-18)27-22(33-20)12-2-3-12;1-28-14-17(13-25-28)16-2-5-22-26-27-23(30(22)15-16)32-18-3-4-20-19(12-18)21(6-7-24-20)29-8-10-31-11-9-29;1-29-11-15(9-25-29)14-4-7-20-27-28-23(30(20)12-14)31-16-5-6-18-17(8-16)21-19(10-24-18)26-22(32-21)13-2-3-13;1-26-10-13(8-23-26)12-3-6-18-24-25-20(28(18)11-12)31-14-4-5-16-15(7-14)19-17(9-22-16)27(2)21(29)30-19;1-25-11-14(10-22-25)13-3-6-19-23-24-20(26(19)12-13)28-15-4-5-17-16(9-15)18(27-2)7-8-21-17/h3-13,23H,1-2H3;2-7,12-15H,8-11H2,1H3;4-12H,2-3H2,1H3;2-7,12-15H,8-11H2,1H3;4-13H,2-3H2,1H3;3-11H,1-2H3;3-12H,1-2H3
InChIKeyJGSZJMLNMSRMOH-UHFFFAOYSA-N
MW3155.65 g/mol
LogP30.79
Rot. Bonds29

About 2-cyclopropyl-8-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;4-(difluoromethoxy)-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;4-[1-fluoro-7-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]naphthalen-2-yl]morpholine;4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;3-methyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]oxazolo[4,5-c]quinolin-2-one;4-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]morpholine

2-cyclopropyl-8-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;4-(difluoromethoxy)-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;4-[1-fluoro-7-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]naphthalen-2-yl]morpholine;4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;3-methyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]oxazolo[4,5-c]quinolin-2-one;4-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]morpholine (PubChem CID 158911811) has the molecular formula C158H124F4N48O6S9 and a molecular weight of 3155.65 g/mol. Its IUPAC name is 2-cyclopropyl-8-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;4-(difluoromethoxy)-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;4-[1-fluoro-7-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]naphthalen-2-yl]morpholine;4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;3-methyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]oxazolo[4,5-c]quinolin-2-one;4-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]morpholine.

Molecular Properties

Compound Name2-cyclopropyl-8-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;4-(difluoromethoxy)-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;4-[1-fluoro-7-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]naphthalen-2-yl]morpholine;4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;3-methyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]oxazolo[4,5-c]quinolin-2-one;4-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]morpholine
PubChem CID158911811
Molecular FormulaC158H124F4N48O6S9
Molecular Weight3155.65 g/mol
Exact Mass3152.83
IUPAC Name2-cyclopropyl-8-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;4-(difluoromethoxy)-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;4-[1-fluoro-7-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]naphthalen-2-yl]morpholine;4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;3-methyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]oxazolo[4,5-c]quinolin-2-one;4-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]morpholine
SMILESCOc1ccnc2ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc12.Cn1cc(-c2cc(F)c3nnc(Sc4ccc5ncc6nc(C7CC7)sc6c5c4)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5ccc(N6CCOCC6)c(F)c5c4)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(-c6cnn(C)c6)c(OC(F)F)c5c4)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5ncc6c(oc(=O)n6C)c5c4)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5ncc6nc(C7CC7)sc6c5c4)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5nccc(N6CCOCC6)c5c4)n3c2)cn1
InChIInChI=1S/C24H18F2N8OS.C24H21FN6OS.C23H16FN7S2.C23H21N7OS.C23H17N7S2.C21H15N7O2S.C20H16N6OS/c1-32-11-15(8-28-32)14-3-6-21-30-31-24(34(21)13-14)36-17-4-5-20-18(7-17)22(35-23(25)26)19(10-27-20)16-9-29-33(2)12-16;1-29-14-18(13-26-29)17-4-7-22-27-28-24(31(22)15-17)33-19-5-2-16-3-6-21(23(25)20(16)12-19)30-8-10-32-11-9-30;1-30-10-14(8-26-30)13-6-17(24)21-28-29-23(31(21)11-13)32-15-4-5-18-16(7-15)20-19(9-25-18)27-22(33-20)12-2-3-12;1-28-14-17(13-25-28)16-2-5-22-26-27-23(30(22)15-16)32-18-3-4-20-19(12-18)21(6-7-24-20)29-8-10-31-11-9-29;1-29-11-15(9-25-29)14-4-7-20-27-28-23(30(20)12-14)31-16-5-6-18-17(8-16)21-19(10-24-18)26-22(32-21)13-2-3-13;1-26-10-13(8-23-26)12-3-6-18-24-25-20(28(18)11-12)31-14-4-5-16-15(7-14)19-17(9-22-16)27(2)21(29)30-19;1-25-11-14(10-22-25)13-3-6-19-23-24-20(26(19)12-13)28-15-4-5-17-16(9-15)18(27-2)7-8-21-17/h3-13,23H,1-2H3;2-7,12-15H,8-11H2,1H3;4-12H,2-3H2,1H3;2-7,12-15H,8-11H2,1H3;4-13H,2-3H2,1H3;3-11H,1-2H3;3-12H,1-2H3
InChIKeyJGSZJMLNMSRMOH-UHFFFAOYSA-N
XLogP30.79
TPSA535.55 Ų
H-Bond Donors
H-Bond Acceptors63
Rotatable Bonds29
Heavy Atoms225
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003155.65
LogP ≤ 530.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1063

Analyze 2-cyclopropyl-8-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;4-(difluoromethoxy)-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;4-[1-fluoro-7-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]naphthalen-2-yl]morpholine;4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;3-methyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]oxazolo[4,5-c]quinolin-2-one;4-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-8-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;4-(difluoromethoxy)-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;4-[1-fluoro-7-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]naphthalen-2-yl]morpholine;4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;3-methyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]oxazolo[4,5-c]quinolin-2-one;4-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]morpholine?
The IUPAC name of 2-cyclopropyl-8-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;4-(difluoromethoxy)-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;4-[1-fluoro-7-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]naphthalen-2-yl]morpholine;4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;3-methyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]oxazolo[4,5-c]quinolin-2-one;4-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]morpholine (CID 158911811) is 2-cyclopropyl-8-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;4-(difluoromethoxy)-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;4-[1-fluoro-7-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]naphthalen-2-yl]morpholine;4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;3-methyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]oxazolo[4,5-c]quinolin-2-one;4-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]morpholine.
What is the SMILES notation for 2-cyclopropyl-8-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;4-(difluoromethoxy)-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;4-[1-fluoro-7-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]naphthalen-2-yl]morpholine;4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;3-methyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]oxazolo[4,5-c]quinolin-2-one;4-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]morpholine?
The canonical SMILES for 2-cyclopropyl-8-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;4-(difluoromethoxy)-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;4-[1-fluoro-7-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]naphthalen-2-yl]morpholine;4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;3-methyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]oxazolo[4,5-c]quinolin-2-one;4-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]morpholine is COc1ccnc2ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc12.Cn1cc(-c2cc(F)c3nnc(Sc4ccc5ncc6nc(C7CC7)sc6c5c4)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5ccc(N6CCOCC6)c(F)c5c4)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(-c6cnn(C)c6)c(OC(F)F)c5c4)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5ncc6c(oc(=O)n6C)c5c4)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5ncc6nc(C7CC7)sc6c5c4)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5nccc(N6CCOCC6)c5c4)n3c2)cn1.
What is the InChIKey of 2-cyclopropyl-8-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;4-(difluoromethoxy)-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;4-[1-fluoro-7-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]naphthalen-2-yl]morpholine;4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;3-methyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]oxazolo[4,5-c]quinolin-2-one;4-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]morpholine?
The InChIKey is JGSZJMLNMSRMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N8OS.C24H21FN6OS.C23H16FN7S2.C23H21N7OS.C23H17N7S2.C21H15N7O2S.C20H16N6OS/c1-32-11-15(8-28-32)14-3-6-21-30-31-24(34(21)13-14)36-17-4-5-20-18(7-17)22(35-23(25)26)19(10-27-20)16-9-29-33(2)12-16;1-29-14-18(13-26-29)17-4-7-22-27-28-24(31(22)15-17)33-19-5-2-16-3-6-21(23(25)20(16)12-19)30-8-10-32-11-9-30;1-30-10-14(8-26-30)13-6-17(24)21-28-29-23(31(21)11-13)32-15-4-5-18-16(7-15)20-19(9-25-18)27-22(33-20)12-2-3-12;1-28-14-17(13-25-28)16-2-5-22-26-27-23(30(22)15-16)32-18-3-4-20-19(12-18)21(6-7-24-20)29-8-10-31-11-9-29;1-29-11-15(9-25-29)14-4-7-20-27-28-23(30(20)12-14)31-16-5-6-18-17(8-16)21-19(10-24-18)26-22(32-21)13-2-3-13;1-26-10-13(8-23-26)12-3-6-18-24-25-20(28(18)11-12)31-14-4-5-16-15(7-14)19-17(9-22-16)27(2)21(29)30-19;1-25-11-14(10-22-25)13-3-6-19-23-24-20(26(19)12-13)28-15-4-5-17-16(9-15)18(27-2)7-8-21-17/h3-13,23H,1-2H3;2-7,12-15H,8-11H2,1H3;4-12H,2-3H2,1H3;2-7,12-15H,8-11H2,1H3;4-13H,2-3H2,1H3;3-11H,1-2H3;3-12H,1-2H3.
What are the key properties of 2-cyclopropyl-8-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;4-(difluoromethoxy)-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;4-[1-fluoro-7-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]naphthalen-2-yl]morpholine;4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;3-methyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]oxazolo[4,5-c]quinolin-2-one;4-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]morpholine?
2-cyclopropyl-8-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;4-(difluoromethoxy)-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;4-[1-fluoro-7-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]naphthalen-2-yl]morpholine;4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;3-methyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]oxazolo[4,5-c]quinolin-2-one;4-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]morpholine has a molecular weight of 3155.65 g/mol, XLogP of 30.79, 29 rotatable bonds, 0 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-8-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;4-(difluoromethoxy)-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;4-[1-fluoro-7-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]naphthalen-2-yl]morpholine;4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;3-methyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]oxazolo[4,5-c]quinolin-2-one;4-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]morpholine is sourced from PubChem (CID 158911811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).