4-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;9-[[8-(difluoromethoxy)-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methyl-4a,10b-dihydro-[1,4]oxazino[3,2-c]quinolin-3-one;10-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3,4-dihydro-2H-[1,4]dioxepino[2,3-c]quinoline;(15R)-4-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-17-oxa-8,11-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,3,5,7,9-pentaene;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholin-3-one;3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-propan-2-yloxyquinoline;3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2,2,2-trifluoroethoxy)quinoline

C171H144F7N51O12S7 — CID 158754162

IUPAC4-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;9-[[8-(difluoromethoxy)-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methyl-4a,10b-dihydro-[1,4]oxazino[3,2-c]quinolin-3-one;10-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3,4-dihydro-2H-[1,4]dioxepino[2,3-c]quinoline;(15R)-4-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-17-oxa-8,11-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,3,5,7,9-pentaene;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholin-3-one;3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-propan-2-yloxyquinoline;3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2,2,2-trifluoroethoxy)quinoline
SMILESCC(C)Oc1c(-c2cnn(C)c2)cnc2ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc12.CN1C(=O)COC2c3cc(Sc4nnc5c(OC(F)F)cc(-c6cnn(C)c6)cn45)ccc3N=CC21.COc1c(N2CCOCC2=O)cnc2ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc12.Cn1cc(-c2cc(F)c3nnc(Sc4ccc5ncc6c(c5c4)OCCCO6)n3c2)cn1.Cn1cc(-c2cc(F)c3nnc(Sc4ccc5ncc6c(c5c4)OC[C@H]4CCCN64)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(-c6cnn(C)c6)c(OCC(F)(F)F)c5c4)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(-c6cnn(C)c6)c(OCC6CC6)c5c4)n3c2)cn1
InChIInChI=1S/C27H24N8OS.C26H24N8OS.C25H19F3N8OS.C24H20FN7OS.C24H21N7O3S.C23H19F2N7O3S.C22H17FN6O2S/c1-33-13-19(10-29-33)18-5-8-25-31-32-27(35(25)15-18)37-21-6-7-24-22(9-21)26(36-16-17-3-4-17)23(12-28-24)20-11-30-34(2)14-20;1-16(2)35-25-21-9-20(6-7-23(21)27-12-22(25)19-11-29-33(4)14-19)36-26-31-30-24-8-5-17(15-34(24)26)18-10-28-32(3)13-18;1-34-11-16(8-30-34)15-3-6-22-32-33-24(36(22)13-15)38-18-4-5-21-19(7-18)23(37-14-25(26,27)28)20(10-29-21)17-9-31-35(2)12-17;1-30-11-15(9-27-30)14-7-19(25)23-28-29-24(32(23)12-14)34-17-4-5-20-18(8-17)22-21(10-26-20)31-6-2-3-16(31)13-33-22;1-29-12-16(10-26-29)15-3-6-21-27-28-24(31(21)13-15)35-17-4-5-19-18(9-17)23(33-2)20(11-25-19)30-7-8-34-14-22(30)32;1-30-9-13(7-27-30)12-5-18(35-22(24)25)21-28-29-23(32(21)10-12)36-14-3-4-16-15(6-14)20-17(8-26-16)31(2)19(33)11-34-20;1-28-11-14(9-25-28)13-7-17(23)21-26-27-22(29(21)12-13)32-15-3-4-18-16(8-15)20-19(10-24-18)30-5-2-6-31-20/h5-15,17H,3-4,16H2,1-2H3;5-16H,1-4H3;3-13H,14H2,1-2H3;4-5,7-12,16H,2-3,6,13H2,1H3;3-6,9-13H,7-8,14H2,1-2H3;3-10,17,20,22H,11H2,1-2H3;3-4,7-12H,2,5-6H2,1H3/t;;;16-;;;/m...1.../s1
InChIKeyINVVWSNPCXPEHL-HMXQMKEUSA-N
MW3462.83 g/mol
LogP30.36
Rot. Bonds35

About 4-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;9-[[8-(difluoromethoxy)-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methyl-4a,10b-dihydro-[1,4]oxazino[3,2-c]quinolin-3-one;10-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3,4-dihydro-2H-[1,4]dioxepino[2,3-c]quinoline;(15R)-4-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-17-oxa-8,11-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,3,5,7,9-pentaene;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholin-3-one;3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-propan-2-yloxyquinoline;3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2,2,2-trifluoroethoxy)quinoline

4-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;9-[[8-(difluoromethoxy)-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methyl-4a,10b-dihydro-[1,4]oxazino[3,2-c]quinolin-3-one;10-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3,4-dihydro-2H-[1,4]dioxepino[2,3-c]quinoline;(15R)-4-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-17-oxa-8,11-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,3,5,7,9-pentaene;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholin-3-one;3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-propan-2-yloxyquinoline;3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2,2,2-trifluoroethoxy)quinoline (PubChem CID 158754162) has the molecular formula C171H144F7N51O12S7 and a molecular weight of 3462.83 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;9-[[8-(difluoromethoxy)-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methyl-4a,10b-dihydro-[1,4]oxazino[3,2-c]quinolin-3-one;10-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3,4-dihydro-2H-[1,4]dioxepino[2,3-c]quinoline;(15R)-4-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-17-oxa-8,11-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,3,5,7,9-pentaene;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholin-3-one;3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-propan-2-yloxyquinoline;3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2,2,2-trifluoroethoxy)quinoline.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;9-[[8-(difluoromethoxy)-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methyl-4a,10b-dihydro-[1,4]oxazino[3,2-c]quinolin-3-one;10-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3,4-dihydro-2H-[1,4]dioxepino[2,3-c]quinoline;(15R)-4-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-17-oxa-8,11-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,3,5,7,9-pentaene;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholin-3-one;3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-propan-2-yloxyquinoline;3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2,2,2-trifluoroethoxy)quinoline
PubChem CID158754162
Molecular FormulaC171H144F7N51O12S7
Molecular Weight3462.83 g/mol
Exact Mass3460.02
IUPAC Name4-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;9-[[8-(difluoromethoxy)-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methyl-4a,10b-dihydro-[1,4]oxazino[3,2-c]quinolin-3-one;10-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3,4-dihydro-2H-[1,4]dioxepino[2,3-c]quinoline;(15R)-4-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-17-oxa-8,11-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,3,5,7,9-pentaene;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholin-3-one;3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-propan-2-yloxyquinoline;3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2,2,2-trifluoroethoxy)quinoline
SMILESCC(C)Oc1c(-c2cnn(C)c2)cnc2ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc12.CN1C(=O)COC2c3cc(Sc4nnc5c(OC(F)F)cc(-c6cnn(C)c6)cn45)ccc3N=CC21.COc1c(N2CCOCC2=O)cnc2ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc12.Cn1cc(-c2cc(F)c3nnc(Sc4ccc5ncc6c(c5c4)OCCCO6)n3c2)cn1.Cn1cc(-c2cc(F)c3nnc(Sc4ccc5ncc6c(c5c4)OC[C@H]4CCCN64)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(-c6cnn(C)c6)c(OCC(F)(F)F)c5c4)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(-c6cnn(C)c6)c(OCC6CC6)c5c4)n3c2)cn1
InChIInChI=1S/C27H24N8OS.C26H24N8OS.C25H19F3N8OS.C24H20FN7OS.C24H21N7O3S.C23H19F2N7O3S.C22H17FN6O2S/c1-33-13-19(10-29-33)18-5-8-25-31-32-27(35(25)15-18)37-21-6-7-24-22(9-21)26(36-16-17-3-4-17)23(12-28-24)20-11-30-34(2)14-20;1-16(2)35-25-21-9-20(6-7-23(21)27-12-22(25)19-11-29-33(4)14-19)36-26-31-30-24-8-5-17(15-34(24)26)18-10-28-32(3)13-18;1-34-11-16(8-30-34)15-3-6-22-32-33-24(36(22)13-15)38-18-4-5-21-19(7-18)23(37-14-25(26,27)28)20(10-29-21)17-9-31-35(2)12-17;1-30-11-15(9-27-30)14-7-19(25)23-28-29-24(32(23)12-14)34-17-4-5-20-18(8-17)22-21(10-26-20)31-6-2-3-16(31)13-33-22;1-29-12-16(10-26-29)15-3-6-21-27-28-24(31(21)13-15)35-17-4-5-19-18(9-17)23(33-2)20(11-25-19)30-7-8-34-14-22(30)32;1-30-9-13(7-27-30)12-5-18(35-22(24)25)21-28-29-23(32(21)10-12)36-14-3-4-16-15(6-14)20-17(8-26-16)31(2)19(33)11-34-20;1-28-11-14(9-25-28)13-7-17(23)21-26-27-22(29(21)12-13)32-15-3-4-18-16(8-15)20-19(10-24-18)30-5-2-6-31-20/h5-15,17H,3-4,16H2,1-2H3;5-16H,1-4H3;3-13H,14H2,1-2H3;4-5,7-12,16H,2-3,6,13H2,1H3;3-6,9-13H,7-8,14H2,1-2H3;3-10,17,20,22H,11H2,1-2H3;3-4,7-12H,2,5-6H2,1H3/t;;;16-;;;/m...1.../s1
InChIKeyINVVWSNPCXPEHL-HMXQMKEUSA-N
XLogP30.36
TPSA615.39 Ų
H-Bond Donors
H-Bond Acceptors68
Rotatable Bonds35
Heavy Atoms248
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003462.83
LogP ≤ 530.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1068

Analyze 4-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;9-[[8-(difluoromethoxy)-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methyl-4a,10b-dihydro-[1,4]oxazino[3,2-c]quinolin-3-one;10-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3,4-dihydro-2H-[1,4]dioxepino[2,3-c]quinoline;(15R)-4-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-17-oxa-8,11-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,3,5,7,9-pentaene;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholin-3-one;3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-propan-2-yloxyquinoline;3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2,2,2-trifluoroethoxy)quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;9-[[8-(difluoromethoxy)-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methyl-4a,10b-dihydro-[1,4]oxazino[3,2-c]quinolin-3-one;10-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3,4-dihydro-2H-[1,4]dioxepino[2,3-c]quinoline;(15R)-4-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-17-oxa-8,11-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,3,5,7,9-pentaene;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholin-3-one;3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-propan-2-yloxyquinoline;3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2,2,2-trifluoroethoxy)quinoline?
The IUPAC name of 4-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;9-[[8-(difluoromethoxy)-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methyl-4a,10b-dihydro-[1,4]oxazino[3,2-c]quinolin-3-one;10-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3,4-dihydro-2H-[1,4]dioxepino[2,3-c]quinoline;(15R)-4-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-17-oxa-8,11-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,3,5,7,9-pentaene;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholin-3-one;3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-propan-2-yloxyquinoline;3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2,2,2-trifluoroethoxy)quinoline (CID 158754162) is 4-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;9-[[8-(difluoromethoxy)-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methyl-4a,10b-dihydro-[1,4]oxazino[3,2-c]quinolin-3-one;10-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3,4-dihydro-2H-[1,4]dioxepino[2,3-c]quinoline;(15R)-4-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-17-oxa-8,11-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,3,5,7,9-pentaene;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholin-3-one;3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-propan-2-yloxyquinoline;3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2,2,2-trifluoroethoxy)quinoline.
What is the SMILES notation for 4-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;9-[[8-(difluoromethoxy)-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methyl-4a,10b-dihydro-[1,4]oxazino[3,2-c]quinolin-3-one;10-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3,4-dihydro-2H-[1,4]dioxepino[2,3-c]quinoline;(15R)-4-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-17-oxa-8,11-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,3,5,7,9-pentaene;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholin-3-one;3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-propan-2-yloxyquinoline;3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2,2,2-trifluoroethoxy)quinoline?
The canonical SMILES for 4-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;9-[[8-(difluoromethoxy)-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methyl-4a,10b-dihydro-[1,4]oxazino[3,2-c]quinolin-3-one;10-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3,4-dihydro-2H-[1,4]dioxepino[2,3-c]quinoline;(15R)-4-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-17-oxa-8,11-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,3,5,7,9-pentaene;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholin-3-one;3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-propan-2-yloxyquinoline;3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2,2,2-trifluoroethoxy)quinoline is CC(C)Oc1c(-c2cnn(C)c2)cnc2ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc12.CN1C(=O)COC2c3cc(Sc4nnc5c(OC(F)F)cc(-c6cnn(C)c6)cn45)ccc3N=CC21.COc1c(N2CCOCC2=O)cnc2ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc12.Cn1cc(-c2cc(F)c3nnc(Sc4ccc5ncc6c(c5c4)OCCCO6)n3c2)cn1.Cn1cc(-c2cc(F)c3nnc(Sc4ccc5ncc6c(c5c4)OC[C@H]4CCCN64)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(-c6cnn(C)c6)c(OCC(F)(F)F)c5c4)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(-c6cnn(C)c6)c(OCC6CC6)c5c4)n3c2)cn1.
What is the InChIKey of 4-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;9-[[8-(difluoromethoxy)-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methyl-4a,10b-dihydro-[1,4]oxazino[3,2-c]quinolin-3-one;10-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3,4-dihydro-2H-[1,4]dioxepino[2,3-c]quinoline;(15R)-4-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-17-oxa-8,11-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,3,5,7,9-pentaene;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholin-3-one;3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-propan-2-yloxyquinoline;3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2,2,2-trifluoroethoxy)quinoline?
The InChIKey is INVVWSNPCXPEHL-HMXQMKEUSA-N. The full InChI is InChI=1S/C27H24N8OS.C26H24N8OS.C25H19F3N8OS.C24H20FN7OS.C24H21N7O3S.C23H19F2N7O3S.C22H17FN6O2S/c1-33-13-19(10-29-33)18-5-8-25-31-32-27(35(25)15-18)37-21-6-7-24-22(9-21)26(36-16-17-3-4-17)23(12-28-24)20-11-30-34(2)14-20;1-16(2)35-25-21-9-20(6-7-23(21)27-12-22(25)19-11-29-33(4)14-19)36-26-31-30-24-8-5-17(15-34(24)26)18-10-28-32(3)13-18;1-34-11-16(8-30-34)15-3-6-22-32-33-24(36(22)13-15)38-18-4-5-21-19(7-18)23(37-14-25(26,27)28)20(10-29-21)17-9-31-35(2)12-17;1-30-11-15(9-27-30)14-7-19(25)23-28-29-24(32(23)12-14)34-17-4-5-20-18(8-17)22-21(10-26-20)31-6-2-3-16(31)13-33-22;1-29-12-16(10-26-29)15-3-6-21-27-28-24(31(21)13-15)35-17-4-5-19-18(9-17)23(33-2)20(11-25-19)30-7-8-34-14-22(30)32;1-30-9-13(7-27-30)12-5-18(35-22(24)25)21-28-29-23(32(21)10-12)36-14-3-4-16-15(6-14)20-17(8-26-16)31(2)19(33)11-34-20;1-28-11-14(9-25-28)13-7-17(23)21-26-27-22(29(21)12-13)32-15-3-4-18-16(8-15)20-19(10-24-18)30-5-2-6-31-20/h5-15,17H,3-4,16H2,1-2H3;5-16H,1-4H3;3-13H,14H2,1-2H3;4-5,7-12,16H,2-3,6,13H2,1H3;3-6,9-13H,7-8,14H2,1-2H3;3-10,17,20,22H,11H2,1-2H3;3-4,7-12H,2,5-6H2,1H3/t;;;16-;;;/m...1.../s1.
What are the key properties of 4-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;9-[[8-(difluoromethoxy)-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methyl-4a,10b-dihydro-[1,4]oxazino[3,2-c]quinolin-3-one;10-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3,4-dihydro-2H-[1,4]dioxepino[2,3-c]quinoline;(15R)-4-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-17-oxa-8,11-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,3,5,7,9-pentaene;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholin-3-one;3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-propan-2-yloxyquinoline;3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2,2,2-trifluoroethoxy)quinoline?
4-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;9-[[8-(difluoromethoxy)-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methyl-4a,10b-dihydro-[1,4]oxazino[3,2-c]quinolin-3-one;10-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3,4-dihydro-2H-[1,4]dioxepino[2,3-c]quinoline;(15R)-4-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-17-oxa-8,11-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,3,5,7,9-pentaene;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholin-3-one;3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-propan-2-yloxyquinoline;3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2,2,2-trifluoroethoxy)quinoline has a molecular weight of 3462.83 g/mol, XLogP of 30.36, 35 rotatable bonds, 0 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;9-[[8-(difluoromethoxy)-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methyl-4a,10b-dihydro-[1,4]oxazino[3,2-c]quinolin-3-one;10-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3,4-dihydro-2H-[1,4]dioxepino[2,3-c]quinoline;(15R)-4-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-17-oxa-8,11-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,3,5,7,9-pentaene;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholin-3-one;3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-propan-2-yloxyquinoline;3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2,2,2-trifluoroethoxy)quinoline is sourced from PubChem (CID 158754162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).