1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-chlorophenyl)-4-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(3-propan-2-ylphenyl)-2-pyridinyl]ethanone;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-2-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)acetamide;N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen

C126H128ClF4N9O20S2 — CID 157281025

About 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-chlorophenyl)-4-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(3-propan-2-ylphenyl)-2-pyridinyl]ethanone;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-2-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)acetamide;N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen

1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-chlorophenyl)-4-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(3-propan-2-ylphenyl)-2-pyridinyl]ethanone;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-2-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)acetamide;N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 157281025) has the molecular formula C126H128ClF4N9O20S2 and a molecular weight of 2264.03 g/mol. Its IUPAC name is 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-chlorophenyl)-4-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(3-propan-2-ylphenyl)-2-pyridinyl]ethanone;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-2-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)acetamide;N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-chlorophenyl)-4-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(3-propan-2-ylphenyl)-2-pyridinyl]ethanone;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-2-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)acetamide;N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen
• PubChem CID: 157281025
• Molecular Formula: C126H128ClF4N9O20S2
• Molecular Weight: 2264.03 g/mol
• Exact Mass: 2261.83
• IUPAC Name: 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-chlorophenyl)-4-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(3-propan-2-ylphenyl)-2-pyridinyl]ethanone;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-2-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)acetamide;N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen
• SMILES: CC(C)c1cccc(-c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2)c1.COc1ccc(C2(C(=O)Nc3cccc(-c4ccc(CNS(C)(=O)=O)cc4)n3)CC2)cc1.Cc1c(-c2ccc(CO)cc2)cnc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)c1C.Cc1cc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)ncc1-c1ccccc1Cl.O=C(Cc1ccc2c(c1)C(F)(F)OC(F)(F)O2)Nc1cccc(-c2ccc(S(=O)(=O)N3CCC[C@@H]3CO)cc2)n1.[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C26H23F4N3O6S.C26H25NO4.C26H25NO3.C24H20ClNO3.C24H25N3O4S.5H2/c27-25(28)20-13-16(6-11-22(20)38-26(29,30)39-25)14-24(35)32-23-5-1-4-21(31-23)17-7-9-19(10-8-17)40(36,37)33-12-2-3-18(33)15-34;1-16-17(2)22(27-13-21(16)19-5-3-18(14-28)4-6-19)12-25(29)26(9-10-26)20-7-8-23-24(11-20)31-15-30-23;1-17(2)18-4-3-5-19(12-18)20-6-8-22(27-15-20)14-25(28)26(10-11-26)21-7-9-23-24(13-21)30-16-29-23;1-15-10-17(26-13-19(15)18-4-2-3-5-20(18)25)12-23(27)24(8-9-24)16-6-7-21-22(11-16)29-14-28-21;1-31-20-12-10-19(11-13-20)24(14-15-24)23(28)27-22-5-3-4-21(26-22)18-8-6-17(7-9-18)16-25-32(2,29)30;;;;;/h1,4-11,13,18,34H,2-3,12,14-15H2,(H,31,32,35);3-8,11,13,28H,9-10,12,14-15H2,1-2H3;3-9,12-13,15,17H,10-11,14,16H2,1-2H3;2-7,10-11,13H,8-9,12,14H2,1H3;3-13,25H,14-16H2,1-2H3,(H,26,27,28);5*1H/t18-;;;;;;;;;/m1........./s1
• InChIKey: AZQZAYODFHUXLJ-RJYOUJLLSA-N
• XLogP: 23.95
• TPSA: 380.94 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 32
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2264.03
LogP ≤ 5	23.95
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-chlorophenyl)-4-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(3-propan-2-ylphenyl)-2-pyridinyl]ethanone;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-2-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)acetamide;N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen?

The IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-chlorophenyl)-4-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(3-propan-2-ylphenyl)-2-pyridinyl]ethanone;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-2-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)acetamide;N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen (CID 157281025) is 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-chlorophenyl)-4-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(3-propan-2-ylphenyl)-2-pyridinyl]ethanone;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-2-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)acetamide;N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen.

What is the SMILES notation for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-chlorophenyl)-4-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(3-propan-2-ylphenyl)-2-pyridinyl]ethanone;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-2-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)acetamide;N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen?

The canonical SMILES for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-chlorophenyl)-4-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(3-propan-2-ylphenyl)-2-pyridinyl]ethanone;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-2-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)acetamide;N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen is CC(C)c1cccc(-c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2)c1.COc1ccc(C2(C(=O)Nc3cccc(-c4ccc(CNS(C)(=O)=O)cc4)n3)CC2)cc1.Cc1c(-c2ccc(CO)cc2)cnc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)c1C.Cc1cc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)ncc1-c1ccccc1Cl.O=C(Cc1ccc2c(c1)C(F)(F)OC(F)(F)O2)Nc1cccc(-c2ccc(S(=O)(=O)N3CCC[C@@H]3CO)cc2)n1.[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-chlorophenyl)-4-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(3-propan-2-ylphenyl)-2-pyridinyl]ethanone;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-2-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)acetamide;N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen?

The InChIKey is AZQZAYODFHUXLJ-RJYOUJLLSA-N. The full InChI is InChI=1S/C26H23F4N3O6S.C26H25NO4.C26H25NO3.C24H20ClNO3.C24H25N3O4S.5H2/c27-25(28)20-13-16(6-11-22(20)38-26(29,30)39-25)14-24(35)32-23-5-1-4-21(31-23)17-7-9-19(10-8-17)40(36,37)33-12-2-3-18(33)15-34;1-16-17(2)22(27-13-21(16)19-5-3-18(14-28)4-6-19)12-25(29)26(9-10-26)20-7-8-23-24(11-20)31-15-30-23;1-17(2)18-4-3-5-19(12-18)20-6-8-22(27-15-20)14-25(28)26(10-11-26)21-7-9-23-24(13-21)30-16-29-23;1-15-10-17(26-13-19(15)18-4-2-3-5-20(18)25)12-23(27)24(8-9-24)16-6-7-21-22(11-16)29-14-28-21;1-31-20-12-10-19(11-13-20)24(14-15-24)23(28)27-22-5-3-4-21(26-22)18-8-6-17(7-9-18)16-25-32(2,29)30;;;;;/h1,4-11,13,18,34H,2-3,12,14-15H2,(H,31,32,35);3-8,11,13,28H,9-10,12,14-15H2,1-2H3;3-9,12-13,15,17H,10-11,14,16H2,1-2H3;2-7,10-11,13H,8-9,12,14H2,1H3;3-13,25H,14-16H2,1-2H3,(H,26,27,28);5*1H/t18-;;;;;;;;;/m1........./s1.

What are the key properties of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-chlorophenyl)-4-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(3-propan-2-ylphenyl)-2-pyridinyl]ethanone;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-2-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)acetamide;N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen?

1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-chlorophenyl)-4-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(3-propan-2-ylphenyl)-2-pyridinyl]ethanone;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-2-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)acetamide;N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 2264.03 g/mol, XLogP of 23.95, 32 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-chlorophenyl)-4-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(hydroxymethyl)phenyl]-3,4-dimethyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(3-propan-2-ylphenyl)-2-pyridinyl]ethanone;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-2-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)acetamide;N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 157281025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).