1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonylpropan-2-one;1-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide

C120H159ClF4N22O15S5 — CID 158778918

IUPAC1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonylpropan-2-one;1-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide
SMILESCC(C)c1cc(Cl)cc(C(C)C)c1CC(=O)CS(=O)(=O)c1cc(C(C)N(C)C)n(C)n1.CC(C)c1cc(F)cc(-c2cccnc2)c1CC(=O)NS(=O)(=O)c1cc(C(C)N(C)C)n(C)n1.CC(C)c1cc(F)cc(C(C)C)c1CC(=O)CS(=O)(=O)c1cc(C(C)N(C)C)n(C)n1.Cc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cc(C(C)N(C)C)n(C)n2)ccn1.[C-]#[N+]c1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cc(C(C)N(C)C)n(C)n2)ccn1
InChIInChI=1S/C25H29FN6O3S.C25H32FN5O3S.C24H30FN5O3S.C23H34ClN3O3S.C23H34FN3O3S/c1-15(2)19-11-18(26)12-20(17-8-9-28-23(10-17)27-4)21(19)13-24(33)30-36(34,35)25-14-22(32(7)29-25)16(3)31(5)6;1-15(2)20-11-19(26)12-21(18-8-9-27-16(3)10-18)22(20)13-24(32)29-35(33,34)25-14-23(31(7)28-25)17(4)30(5)6;1-15(2)19-10-18(25)11-20(17-8-7-9-26-14-17)21(19)12-23(31)28-34(32,33)24-13-22(30(6)27-24)16(3)29(4)5;2*1-14(2)19-9-17(24)10-20(15(3)4)21(19)11-18(28)13-31(29,30)23-12-22(27(8)25-23)16(5)26(6)7/h8-12,14-16H,13H2,1-3,5-7H3,(H,30,33);8-12,14-15,17H,13H2,1-7H3,(H,29,32);7-11,13-16H,12H2,1-6H3,(H,28,31);2*9-10,12,14-16H,11,13H2,1-8H3
InChIKeyIQVBRUXZFPNWKY-UHFFFAOYSA-N
MW2421.51 g/mol
LogP19.65
Rot. Bonds42

About 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonylpropan-2-one;1-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide

1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonylpropan-2-one;1-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide (PubChem CID 158778918) has the molecular formula C120H159ClF4N22O15S5 and a molecular weight of 2421.51 g/mol. Its IUPAC name is 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonylpropan-2-one;1-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide.

Molecular Properties

Compound Name1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonylpropan-2-one;1-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide
PubChem CID158778918
Molecular FormulaC120H159ClF4N22O15S5
Molecular Weight2421.51 g/mol
Exact Mass2419.06
IUPAC Name1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonylpropan-2-one;1-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide
SMILESCC(C)c1cc(Cl)cc(C(C)C)c1CC(=O)CS(=O)(=O)c1cc(C(C)N(C)C)n(C)n1.CC(C)c1cc(F)cc(-c2cccnc2)c1CC(=O)NS(=O)(=O)c1cc(C(C)N(C)C)n(C)n1.CC(C)c1cc(F)cc(C(C)C)c1CC(=O)CS(=O)(=O)c1cc(C(C)N(C)C)n(C)n1.Cc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cc(C(C)N(C)C)n(C)n2)ccn1.[C-]#[N+]c1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cc(C(C)N(C)C)n(C)n2)ccn1
InChIInChI=1S/C25H29FN6O3S.C25H32FN5O3S.C24H30FN5O3S.C23H34ClN3O3S.C23H34FN3O3S/c1-15(2)19-11-18(26)12-20(17-8-9-28-23(10-17)27-4)21(19)13-24(33)30-36(34,35)25-14-22(32(7)29-25)16(3)31(5)6;1-15(2)20-11-19(26)12-21(18-8-9-27-16(3)10-18)22(20)13-24(32)29-35(33,34)25-14-23(31(7)28-25)17(4)30(5)6;1-15(2)19-10-18(25)11-20(17-8-7-9-26-14-17)21(19)12-23(31)28-34(32,33)24-13-22(30(6)27-24)16(3)29(4)5;2*1-14(2)19-9-17(24)10-20(15(3)4)21(19)11-18(28)13-31(29,30)23-12-22(27(8)25-23)16(5)26(6)7/h8-12,14-16H,13H2,1-3,5-7H3,(H,30,33);8-12,14-15,17H,13H2,1-7H3,(H,29,32);7-11,13-16H,12H2,1-6H3,(H,28,31);2*9-10,12,14-16H,11,13H2,1-8H3
InChIKeyIQVBRUXZFPNWKY-UHFFFAOYSA-N
XLogP19.65
TPSA440.47 Ų
H-Bond Donors3
H-Bond Acceptors33
Rotatable Bonds42
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002421.51
LogP ≤ 519.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonylpropan-2-one;1-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide with MolForge

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Related Compounds

N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide
CID 147645296
2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetyl chloride;3-[[2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;N,N,1-trimethyl-3-sulfamoylpyrazole-5-carboxamide
CID 161318662
N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide
CID 158980274
N-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
CID 159394731
N-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide
CID 155429408
N-[3-(diethylamino)propylsulfonyl]-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide;2-[7-fluoro-5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide
CID 158836773
1-[(1-cyclopropyl-1,2,4-triazol-3-yl)sulfonyl]-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)propan-2-one
CID 158131778
1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonylpropan-2-one
CID 158510373
2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylacetamide
CID 155464161
N-[1-ethyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
CID 158587199
N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide
CID 158485024
2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[(5-propan-2-yl-2-pyridinyl)sulfonyl]acetamide
CID 155464127

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonylpropan-2-one;1-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide?
The IUPAC name of 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonylpropan-2-one;1-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide (CID 158778918) is 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonylpropan-2-one;1-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide.
What is the SMILES notation for 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonylpropan-2-one;1-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide?
The canonical SMILES for 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonylpropan-2-one;1-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide is CC(C)c1cc(Cl)cc(C(C)C)c1CC(=O)CS(=O)(=O)c1cc(C(C)N(C)C)n(C)n1.CC(C)c1cc(F)cc(-c2cccnc2)c1CC(=O)NS(=O)(=O)c1cc(C(C)N(C)C)n(C)n1.CC(C)c1cc(F)cc(C(C)C)c1CC(=O)CS(=O)(=O)c1cc(C(C)N(C)C)n(C)n1.Cc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cc(C(C)N(C)C)n(C)n2)ccn1.[C-]#[N+]c1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cc(C(C)N(C)C)n(C)n2)ccn1.
What is the InChIKey of 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonylpropan-2-one;1-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide?
The InChIKey is IQVBRUXZFPNWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6O3S.C25H32FN5O3S.C24H30FN5O3S.C23H34ClN3O3S.C23H34FN3O3S/c1-15(2)19-11-18(26)12-20(17-8-9-28-23(10-17)27-4)21(19)13-24(33)30-36(34,35)25-14-22(32(7)29-25)16(3)31(5)6;1-15(2)20-11-19(26)12-21(18-8-9-27-16(3)10-18)22(20)13-24(32)29-35(33,34)25-14-23(31(7)28-25)17(4)30(5)6;1-15(2)19-10-18(25)11-20(17-8-7-9-26-14-17)21(19)12-23(31)28-34(32,33)24-13-22(30(6)27-24)16(3)29(4)5;2*1-14(2)19-9-17(24)10-20(15(3)4)21(19)11-18(28)13-31(29,30)23-12-22(27(8)25-23)16(5)26(6)7/h8-12,14-16H,13H2,1-3,5-7H3,(H,30,33);8-12,14-15,17H,13H2,1-7H3,(H,29,32);7-11,13-16H,12H2,1-6H3,(H,28,31);2*9-10,12,14-16H,11,13H2,1-8H3.
What are the key properties of 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonylpropan-2-one;1-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide?
1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonylpropan-2-one;1-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide has a molecular weight of 2421.51 g/mol, XLogP of 19.65, 42 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonylpropan-2-one;1-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide is sourced from PubChem (CID 158778918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).