1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonylpropan-2-one;1-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one;N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide;2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide;2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide;N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonyl-2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide

C147H184ClF3N22O24S6 — CID 158510371

IUPAC1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonylpropan-2-one;1-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one;N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide;2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide;2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide;N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonyl-2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide
SMILESCC(C)c1cc(Cl)cc(C(C)C)c1CC(=O)CS(=O)(=O)c1cc(C(C)N(C)C)n(C2CC2)n1.CC(C)c1cc(F)cc(-c2cccnc2)c1CC(=O)NS(=O)(=O)c1cc(C(C)N(C)C)n(C2CC2)n1.CC(C)c1cc(F)cc(C(C)C)c1CC(=O)CS(=O)(=O)c1cc(C(C)N(C)C)n(C2CC2)n1.COC1(c2cc(S(=O)(=O)NC(=O)Cc3c(-c4ccnc(C)c4)ccc4c3CCC4)nn2C)COC1.COC1(c2cc(S(=O)(=O)NC(=O)Cc3c(-c4ccncc4)cc(F)c4c3CCC4)nn2C)COC1.COC1(c2cc(S(=O)(=O)NC(=O)Cc3c4c(cc5c3CCC5)CCC4)nn2C)COC1
InChIInChI=1S/C26H32FN5O3S.C25H36ClN3O3S.C25H36FN3O3S.C25H28N4O5S.C24H25FN4O5S.C22H27N3O5S/c1-16(2)21-11-19(27)12-22(18-7-6-10-28-15-18)23(21)13-25(33)30-36(34,35)26-14-24(17(3)31(4)5)32(29-26)20-8-9-20;2*1-15(2)21-10-18(26)11-22(16(3)4)23(21)12-20(30)14-33(31,32)25-13-24(17(5)28(6)7)29(27-25)19-8-9-19;1-16-11-18(9-10-26-16)20-8-7-17-5-4-6-19(17)21(20)12-23(30)28-35(31,32)24-13-22(29(2)27-24)25(33-3)14-34-15-25;1-29-21(24(33-2)13-34-14-24)12-23(27-29)35(31,32)28-22(30)11-19-16-4-3-5-17(16)20(25)10-18(19)15-6-8-26-9-7-15;1-25-19(22(29-2)12-30-13-22)11-21(23-25)31(27,28)24-20(26)10-18-16-7-3-5-14(16)9-15-6-4-8-17(15)18/h6-7,10-12,14-17,20H,8-9,13H2,1-5H3,(H,30,33);2*10-11,13,15-17,19H,8-9,12,14H2,1-7H3;7-11,13H,4-6,12,14-15H2,1-3H3,(H,28,30);6-10,12H,3-5,11,13-14H2,1-2H3,(H,28,30);9,11H,3-8,10,12-13H2,1-2H3,(H,24,26)
InChIKeyHKZAXILGWDIBID-UHFFFAOYSA-N
MW2928.07 g/mol
LogP19.90
Rot. Bonds49

About 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonylpropan-2-one;1-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one;N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide;2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide;2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide;N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonyl-2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide

1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonylpropan-2-one;1-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one;N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide;2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide;2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide;N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonyl-2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide (PubChem CID 158510371) has the molecular formula C147H184ClF3N22O24S6 and a molecular weight of 2928.07 g/mol. Its IUPAC name is 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonylpropan-2-one;1-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one;N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide;2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide;2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide;N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonyl-2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide.

Molecular Properties

Compound Name1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonylpropan-2-one;1-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one;N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide;2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide;2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide;N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonyl-2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide
PubChem CID158510371
Molecular FormulaC147H184ClF3N22O24S6
Molecular Weight2928.07 g/mol
Exact Mass2925.18
IUPAC Name1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonylpropan-2-one;1-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one;N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide;2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide;2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide;N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonyl-2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide
SMILESCC(C)c1cc(Cl)cc(C(C)C)c1CC(=O)CS(=O)(=O)c1cc(C(C)N(C)C)n(C2CC2)n1.CC(C)c1cc(F)cc(-c2cccnc2)c1CC(=O)NS(=O)(=O)c1cc(C(C)N(C)C)n(C2CC2)n1.CC(C)c1cc(F)cc(C(C)C)c1CC(=O)CS(=O)(=O)c1cc(C(C)N(C)C)n(C2CC2)n1.COC1(c2cc(S(=O)(=O)NC(=O)Cc3c(-c4ccnc(C)c4)ccc4c3CCC4)nn2C)COC1.COC1(c2cc(S(=O)(=O)NC(=O)Cc3c(-c4ccncc4)cc(F)c4c3CCC4)nn2C)COC1.COC1(c2cc(S(=O)(=O)NC(=O)Cc3c4c(cc5c3CCC5)CCC4)nn2C)COC1
InChIInChI=1S/C26H32FN5O3S.C25H36ClN3O3S.C25H36FN3O3S.C25H28N4O5S.C24H25FN4O5S.C22H27N3O5S/c1-16(2)21-11-19(27)12-22(18-7-6-10-28-15-18)23(21)13-25(33)30-36(34,35)26-14-24(17(3)31(4)5)32(29-26)20-8-9-20;2*1-15(2)21-10-18(26)11-22(16(3)4)23(21)12-20(30)14-33(31,32)25-13-24(17(5)28(6)7)29(27-25)19-8-9-19;1-16-11-18(9-10-26-16)20-8-7-17-5-4-6-19(17)21(20)12-23(30)28-35(31,32)24-13-22(29(2)27-24)25(33-3)14-34-15-25;1-29-21(24(33-2)13-34-14-24)12-23(27-29)35(31,32)28-22(30)11-19-16-4-3-5-17(16)20(25)10-18(19)15-6-8-26-9-7-15;1-25-19(22(29-2)12-30-13-22)11-21(23-25)31(27,28)24-20(26)10-18-16-7-3-5-14(16)9-15-6-4-8-17(15)18/h6-7,10-12,14-17,20H,8-9,13H2,1-5H3,(H,30,33);2*10-11,13,15-17,19H,8-9,12,14H2,1-7H3;7-11,13H,4-6,12,14-15H2,1-3H3,(H,28,30);6-10,12H,3-5,11,13-14H2,1-2H3,(H,28,30);9,11H,3-8,10,12-13H2,1-2H3,(H,24,26)
InChIKeyHKZAXILGWDIBID-UHFFFAOYSA-N
XLogP19.90
TPSA566.07 Ų
H-Bond Donors4
H-Bond Acceptors42
Rotatable Bonds49
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002928.07
LogP ≤ 519.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1042

Analyze 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonylpropan-2-one;1-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one;N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide;2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide;2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide;N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonyl-2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonylpropan-2-one;1-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one;N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide;2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide;2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide;N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonyl-2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide?
The IUPAC name of 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonylpropan-2-one;1-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one;N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide;2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide;2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide;N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonyl-2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide (CID 158510371) is 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonylpropan-2-one;1-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one;N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide;2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide;2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide;N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonyl-2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide.
What is the SMILES notation for 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonylpropan-2-one;1-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one;N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide;2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide;2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide;N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonyl-2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide?
The canonical SMILES for 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonylpropan-2-one;1-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one;N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide;2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide;2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide;N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonyl-2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide is CC(C)c1cc(Cl)cc(C(C)C)c1CC(=O)CS(=O)(=O)c1cc(C(C)N(C)C)n(C2CC2)n1.CC(C)c1cc(F)cc(-c2cccnc2)c1CC(=O)NS(=O)(=O)c1cc(C(C)N(C)C)n(C2CC2)n1.CC(C)c1cc(F)cc(C(C)C)c1CC(=O)CS(=O)(=O)c1cc(C(C)N(C)C)n(C2CC2)n1.COC1(c2cc(S(=O)(=O)NC(=O)Cc3c(-c4ccnc(C)c4)ccc4c3CCC4)nn2C)COC1.COC1(c2cc(S(=O)(=O)NC(=O)Cc3c(-c4ccncc4)cc(F)c4c3CCC4)nn2C)COC1.COC1(c2cc(S(=O)(=O)NC(=O)Cc3c4c(cc5c3CCC5)CCC4)nn2C)COC1.
What is the InChIKey of 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonylpropan-2-one;1-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one;N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide;2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide;2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide;N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonyl-2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide?
The InChIKey is HKZAXILGWDIBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5O3S.C25H36ClN3O3S.C25H36FN3O3S.C25H28N4O5S.C24H25FN4O5S.C22H27N3O5S/c1-16(2)21-11-19(27)12-22(18-7-6-10-28-15-18)23(21)13-25(33)30-36(34,35)26-14-24(17(3)31(4)5)32(29-26)20-8-9-20;2*1-15(2)21-10-18(26)11-22(16(3)4)23(21)12-20(30)14-33(31,32)25-13-24(17(5)28(6)7)29(27-25)19-8-9-19;1-16-11-18(9-10-26-16)20-8-7-17-5-4-6-19(17)21(20)12-23(30)28-35(31,32)24-13-22(29(2)27-24)25(33-3)14-34-15-25;1-29-21(24(33-2)13-34-14-24)12-23(27-29)35(31,32)28-22(30)11-19-16-4-3-5-17(16)20(25)10-18(19)15-6-8-26-9-7-15;1-25-19(22(29-2)12-30-13-22)11-21(23-25)31(27,28)24-20(26)10-18-16-7-3-5-14(16)9-15-6-4-8-17(15)18/h6-7,10-12,14-17,20H,8-9,13H2,1-5H3,(H,30,33);2*10-11,13,15-17,19H,8-9,12,14H2,1-7H3;7-11,13H,4-6,12,14-15H2,1-3H3,(H,28,30);6-10,12H,3-5,11,13-14H2,1-2H3,(H,28,30);9,11H,3-8,10,12-13H2,1-2H3,(H,24,26).
What are the key properties of 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonylpropan-2-one;1-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one;N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide;2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide;2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide;N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonyl-2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide?
1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonylpropan-2-one;1-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one;N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide;2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide;2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide;N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonyl-2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide has a molecular weight of 2928.07 g/mol, XLogP of 19.90, 49 rotatable bonds, 4 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonylpropan-2-one;1-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one;N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide;2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide;2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylacetamide;N-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonyl-2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide is sourced from PubChem (CID 158510371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).