4-chloro-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-(1-methylpyrazol-4-yl)quinoline;N-(2-methoxyethyl)-N-methyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-amine;4-methoxy-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;2-[methyl-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]amino]ethanol;9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-2,3-dihydro-[1,4]dioxino[2,3-c]quinoline

C137H116ClFN44O6S6 — CID 158398388

IUPAC4-chloro-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-(1-methylpyrazol-4-yl)quinoline;N-(2-methoxyethyl)-N-methyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-amine;4-methoxy-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;2-[methyl-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]amino]ethanol;9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-2,3-dihydro-[1,4]dioxino[2,3-c]quinoline
SMILESCN(CCO)c1ccnc2ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc12.COCCN(C)c1ccnc2ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc12.COc1c(-c2cnn(C)c2)cnc2ccc(Sc3nnc4c(F)cc(-c5cnn(C)c5)cn34)cc12.COc1c(-c2cnn(C)c2)cnc2ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc12.Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(-c6cnn(C)c6)c(Cl)c5c4)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5ncc6c(c5c4)OCCO6)n3c2)cn1
InChIInChI=1S/C24H19FN8OS.C24H20N8OS.C23H17ClN8S.C23H23N7OS.C22H21N7OS.C21H16N6O2S/c1-31-11-15(8-27-31)14-6-20(25)23-29-30-24(33(23)13-14)35-17-4-5-21-18(7-17)22(34-3)19(10-26-21)16-9-28-32(2)12-16;1-30-12-16(9-26-30)15-4-7-22-28-29-24(32(22)14-15)34-18-5-6-21-19(8-18)23(33-3)20(11-25-21)17-10-27-31(2)13-17;1-30-11-15(8-26-30)14-3-6-21-28-29-23(32(21)13-14)33-17-4-5-20-18(7-17)22(24)19(10-25-20)16-9-27-31(2)12-16;1-28(10-11-31-3)21-8-9-24-20-6-5-18(12-19(20)21)32-23-27-26-22-7-4-16(15-30(22)23)17-13-25-29(2)14-17;1-27(9-10-30)20-7-8-23-19-5-4-17(11-18(19)20)31-22-26-25-21-6-3-15(14-29(21)22)16-12-24-28(2)13-16;1-26-11-14(9-23-26)13-2-5-19-24-25-21(27(19)12-13)30-15-3-4-17-16(8-15)20-18(10-22-17)28-6-7-29-20/h4-13H,1-3H3;4-14H,1-3H3;3-13H,1-2H3;4-9,12-15H,10-11H2,1-3H3;3-8,11-14,30H,9-10H2,1-2H3;2-5,8-12H,6-7H2,1H3
InChIKeyGXULQQCLBTYEEQ-UHFFFAOYSA-N
MW2721.59 g/mol
LogP24.27
Rot. Bonds30

About 4-chloro-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-(1-methylpyrazol-4-yl)quinoline;N-(2-methoxyethyl)-N-methyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-amine;4-methoxy-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;2-[methyl-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]amino]ethanol;9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-2,3-dihydro-[1,4]dioxino[2,3-c]quinoline

4-chloro-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-(1-methylpyrazol-4-yl)quinoline;N-(2-methoxyethyl)-N-methyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-amine;4-methoxy-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;2-[methyl-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]amino]ethanol;9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-2,3-dihydro-[1,4]dioxino[2,3-c]quinoline (PubChem CID 158398388) has the molecular formula C137H116ClFN44O6S6 and a molecular weight of 2721.59 g/mol. Its IUPAC name is 4-chloro-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-(1-methylpyrazol-4-yl)quinoline;N-(2-methoxyethyl)-N-methyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-amine;4-methoxy-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;2-[methyl-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]amino]ethanol;9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-2,3-dihydro-[1,4]dioxino[2,3-c]quinoline.

Molecular Properties

Compound Name4-chloro-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-(1-methylpyrazol-4-yl)quinoline;N-(2-methoxyethyl)-N-methyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-amine;4-methoxy-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;2-[methyl-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]amino]ethanol;9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-2,3-dihydro-[1,4]dioxino[2,3-c]quinoline
PubChem CID158398388
Molecular FormulaC137H116ClFN44O6S6
Molecular Weight2721.59 g/mol
Exact Mass2718.81
IUPAC Name4-chloro-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-(1-methylpyrazol-4-yl)quinoline;N-(2-methoxyethyl)-N-methyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-amine;4-methoxy-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;2-[methyl-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]amino]ethanol;9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-2,3-dihydro-[1,4]dioxino[2,3-c]quinoline
SMILESCN(CCO)c1ccnc2ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc12.COCCN(C)c1ccnc2ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc12.COc1c(-c2cnn(C)c2)cnc2ccc(Sc3nnc4c(F)cc(-c5cnn(C)c5)cn34)cc12.COc1c(-c2cnn(C)c2)cnc2ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc12.Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(-c6cnn(C)c6)c(Cl)c5c4)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5ncc6c(c5c4)OCCO6)n3c2)cn1
InChIInChI=1S/C24H19FN8OS.C24H20N8OS.C23H17ClN8S.C23H23N7OS.C22H21N7OS.C21H16N6O2S/c1-31-11-15(8-27-31)14-6-20(25)23-29-30-24(33(23)13-14)35-17-4-5-21-18(7-17)22(34-3)19(10-26-21)16-9-28-32(2)12-16;1-30-12-16(9-26-30)15-4-7-22-28-29-24(32(22)14-15)34-18-5-6-21-19(8-18)23(33-3)20(11-25-21)17-10-27-31(2)13-17;1-30-11-15(8-26-30)14-3-6-21-28-29-23(32(21)13-14)33-17-4-5-20-18(7-17)22(24)19(10-25-20)16-9-27-31(2)12-16;1-28(10-11-31-3)21-8-9-24-20-6-5-18(12-19(20)21)32-23-27-26-22-7-4-16(15-30(22)23)17-13-25-29(2)14-17;1-27(9-10-30)20-7-8-23-19-5-4-17(11-18(19)20)31-22-26-25-21-6-3-15(14-29(21)22)16-12-24-28(2)13-16;1-26-11-14(9-23-26)13-2-5-19-24-25-21(27(19)12-13)30-15-3-4-17-16(8-15)20-18(10-22-17)28-6-7-29-20/h4-13H,1-3H3;4-14H,1-3H3;3-13H,1-2H3;4-9,12-15H,10-11H2,1-3H3;3-8,11-14,30H,9-10H2,1-2H3;2-5,8-12H,6-7H2,1H3
InChIKeyGXULQQCLBTYEEQ-UHFFFAOYSA-N
XLogP24.27
TPSA491.72 Ų
H-Bond Donors1
H-Bond Acceptors56
Rotatable Bonds30
Heavy Atoms195
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002721.59
LogP ≤ 524.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1056

Analyze 4-chloro-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-(1-methylpyrazol-4-yl)quinoline;N-(2-methoxyethyl)-N-methyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-amine;4-methoxy-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;2-[methyl-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]amino]ethanol;9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-2,3-dihydro-[1,4]dioxino[2,3-c]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-(1-methylpyrazol-4-yl)quinoline;N-(2-methoxyethyl)-N-methyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-amine;4-methoxy-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;2-[methyl-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]amino]ethanol;9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-2,3-dihydro-[1,4]dioxino[2,3-c]quinoline?
The IUPAC name of 4-chloro-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-(1-methylpyrazol-4-yl)quinoline;N-(2-methoxyethyl)-N-methyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-amine;4-methoxy-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;2-[methyl-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]amino]ethanol;9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-2,3-dihydro-[1,4]dioxino[2,3-c]quinoline (CID 158398388) is 4-chloro-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-(1-methylpyrazol-4-yl)quinoline;N-(2-methoxyethyl)-N-methyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-amine;4-methoxy-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;2-[methyl-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]amino]ethanol;9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-2,3-dihydro-[1,4]dioxino[2,3-c]quinoline.
What is the SMILES notation for 4-chloro-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-(1-methylpyrazol-4-yl)quinoline;N-(2-methoxyethyl)-N-methyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-amine;4-methoxy-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;2-[methyl-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]amino]ethanol;9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-2,3-dihydro-[1,4]dioxino[2,3-c]quinoline?
The canonical SMILES for 4-chloro-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-(1-methylpyrazol-4-yl)quinoline;N-(2-methoxyethyl)-N-methyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-amine;4-methoxy-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;2-[methyl-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]amino]ethanol;9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-2,3-dihydro-[1,4]dioxino[2,3-c]quinoline is CN(CCO)c1ccnc2ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc12.COCCN(C)c1ccnc2ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc12.COc1c(-c2cnn(C)c2)cnc2ccc(Sc3nnc4c(F)cc(-c5cnn(C)c5)cn34)cc12.COc1c(-c2cnn(C)c2)cnc2ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc12.Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(-c6cnn(C)c6)c(Cl)c5c4)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5ncc6c(c5c4)OCCO6)n3c2)cn1.
What is the InChIKey of 4-chloro-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-(1-methylpyrazol-4-yl)quinoline;N-(2-methoxyethyl)-N-methyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-amine;4-methoxy-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;2-[methyl-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]amino]ethanol;9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-2,3-dihydro-[1,4]dioxino[2,3-c]quinoline?
The InChIKey is GXULQQCLBTYEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN8OS.C24H20N8OS.C23H17ClN8S.C23H23N7OS.C22H21N7OS.C21H16N6O2S/c1-31-11-15(8-27-31)14-6-20(25)23-29-30-24(33(23)13-14)35-17-4-5-21-18(7-17)22(34-3)19(10-26-21)16-9-28-32(2)12-16;1-30-12-16(9-26-30)15-4-7-22-28-29-24(32(22)14-15)34-18-5-6-21-19(8-18)23(33-3)20(11-25-21)17-10-27-31(2)13-17;1-30-11-15(8-26-30)14-3-6-21-28-29-23(32(21)13-14)33-17-4-5-20-18(7-17)22(24)19(10-25-20)16-9-27-31(2)12-16;1-28(10-11-31-3)21-8-9-24-20-6-5-18(12-19(20)21)32-23-27-26-22-7-4-16(15-30(22)23)17-13-25-29(2)14-17;1-27(9-10-30)20-7-8-23-19-5-4-17(11-18(19)20)31-22-26-25-21-6-3-15(14-29(21)22)16-12-24-28(2)13-16;1-26-11-14(9-23-26)13-2-5-19-24-25-21(27(19)12-13)30-15-3-4-17-16(8-15)20-18(10-22-17)28-6-7-29-20/h4-13H,1-3H3;4-14H,1-3H3;3-13H,1-2H3;4-9,12-15H,10-11H2,1-3H3;3-8,11-14,30H,9-10H2,1-2H3;2-5,8-12H,6-7H2,1H3.
What are the key properties of 4-chloro-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-(1-methylpyrazol-4-yl)quinoline;N-(2-methoxyethyl)-N-methyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-amine;4-methoxy-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;2-[methyl-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]amino]ethanol;9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-2,3-dihydro-[1,4]dioxino[2,3-c]quinoline?
4-chloro-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-(1-methylpyrazol-4-yl)quinoline;N-(2-methoxyethyl)-N-methyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-amine;4-methoxy-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;2-[methyl-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]amino]ethanol;9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-2,3-dihydro-[1,4]dioxino[2,3-c]quinoline has a molecular weight of 2721.59 g/mol, XLogP of 24.27, 30 rotatable bonds, 1 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methoxy-3-(1-methylpyrazol-4-yl)quinoline;N-(2-methoxyethyl)-N-methyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-amine;4-methoxy-3-(1-methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline;2-[methyl-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-4-yl]amino]ethanol;9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-2,3-dihydro-[1,4]dioxino[2,3-c]quinoline is sourced from PubChem (CID 158398388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).