1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(4-methylsulfonylphenyl)-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-2-pyridinyl]ethanone;1-[[4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]phenyl]methyl]-3-methylurea;N-[6-[3-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[5-methyl-6-(4-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen

C126H124F9N9O18S — CID 158232219

About 1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(4-methylsulfonylphenyl)-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-2-pyridinyl]ethanone;1-[[4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]phenyl]methyl]-3-methylurea;N-[6-[3-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[5-methyl-6-(4-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen

1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(4-methylsulfonylphenyl)-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-2-pyridinyl]ethanone;1-[[4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]phenyl]methyl]-3-methylurea;N-[6-[3-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[5-methyl-6-(4-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 158232219) has the molecular formula C126H124F9N9O18S and a molecular weight of 2255.47 g/mol. Its IUPAC name is 1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(4-methylsulfonylphenyl)-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-2-pyridinyl]ethanone;1-[[4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]phenyl]methyl]-3-methylurea;N-[6-[3-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[5-methyl-6-(4-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(4-methylsulfonylphenyl)-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-2-pyridinyl]ethanone;1-[[4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]phenyl]methyl]-3-methylurea;N-[6-[3-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[5-methyl-6-(4-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
• PubChem CID: 158232219
• Molecular Formula: C126H124F9N9O18S
• Molecular Weight: 2255.47 g/mol
• Exact Mass: 2253.86
• IUPAC Name: 1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(4-methylsulfonylphenyl)-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-2-pyridinyl]ethanone;1-[[4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]phenyl]methyl]-3-methylurea;N-[6-[3-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[5-methyl-6-(4-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
• SMILES: CNC(=O)NCc1ccc(-c2nc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)cc1.COc1ccc(C2(C(=O)Nc3ccc(C)c(-c4ccc(C)cc4)n3)CC2)cc1.COc1ccc(C2(C(=O)Nc3ccc(C)c(-c4cccc(CO)c4)n3)CC2)cc1.Cc1ccc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc(C(O)C(F)(F)F)cc1.Cc1ccc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc(S(C)(=O)=O)cc1.[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C27H25F2N3O4.C26H20F5NO4.C25H21F2NO5S.C24H24N2O3.C24H24N2O2.5H2/c1-16-3-9-20(32-24(16)18-6-4-17(5-7-18)15-31-25(34)30-2)14-23(33)26(11-12-26)19-8-10-21-22(13-19)36-27(28,29)35-21;1-14-2-8-18(32-22(14)15-3-5-16(6-4-15)23(34)25(27,28)29)13-21(33)24(10-11-24)17-7-9-19-20(12-17)36-26(30,31)35-19;1-15-3-7-18(28-23(15)16-4-8-19(9-5-16)34(2,30)31)14-22(29)24(11-12-24)17-6-10-20-21(13-17)33-25(26,27)32-20;1-16-6-11-21(25-22(16)18-5-3-4-17(14-18)15-27)26-23(28)24(12-13-24)19-7-9-20(29-2)10-8-19;1-16-4-7-18(8-5-16)22-17(2)6-13-21(25-22)26-23(27)24(14-15-24)19-9-11-20(28-3)12-10-19;;;;;/h3-10,13H,11-12,14-15H2,1-2H3,(H2,30,31,34);2-9,12,23,34H,10-11,13H2,1H3;3-10,13H,11-12,14H2,1-2H3;3-11,14,27H,12-13,15H2,1-2H3,(H,25,26,28);4-13H,14-15H2,1-3H3,(H,25,26,27);5*1H
• InChIKey: GENBORVMWPKNFT-UHFFFAOYSA-N
• XLogP: 25.60
• TPSA: 363.43 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 30
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2255.47
LogP ≤ 5	25.60
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(4-methylsulfonylphenyl)-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-2-pyridinyl]ethanone;1-[[4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]phenyl]methyl]-3-methylurea;N-[6-[3-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[5-methyl-6-(4-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?

The IUPAC name of 1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(4-methylsulfonylphenyl)-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-2-pyridinyl]ethanone;1-[[4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]phenyl]methyl]-3-methylurea;N-[6-[3-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[5-methyl-6-(4-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen (CID 158232219) is 1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(4-methylsulfonylphenyl)-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-2-pyridinyl]ethanone;1-[[4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]phenyl]methyl]-3-methylurea;N-[6-[3-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[5-methyl-6-(4-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen.

What is the SMILES notation for 1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(4-methylsulfonylphenyl)-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-2-pyridinyl]ethanone;1-[[4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]phenyl]methyl]-3-methylurea;N-[6-[3-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[5-methyl-6-(4-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?

The canonical SMILES for 1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(4-methylsulfonylphenyl)-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-2-pyridinyl]ethanone;1-[[4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]phenyl]methyl]-3-methylurea;N-[6-[3-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[5-methyl-6-(4-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen is CNC(=O)NCc1ccc(-c2nc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)cc1.COc1ccc(C2(C(=O)Nc3ccc(C)c(-c4ccc(C)cc4)n3)CC2)cc1.COc1ccc(C2(C(=O)Nc3ccc(C)c(-c4cccc(CO)c4)n3)CC2)cc1.Cc1ccc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc(C(O)C(F)(F)F)cc1.Cc1ccc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc(S(C)(=O)=O)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(4-methylsulfonylphenyl)-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-2-pyridinyl]ethanone;1-[[4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]phenyl]methyl]-3-methylurea;N-[6-[3-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[5-methyl-6-(4-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?

The InChIKey is GENBORVMWPKNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N3O4.C26H20F5NO4.C25H21F2NO5S.C24H24N2O3.C24H24N2O2.5H2/c1-16-3-9-20(32-24(16)18-6-4-17(5-7-18)15-31-25(34)30-2)14-23(33)26(11-12-26)19-8-10-21-22(13-19)36-27(28,29)35-21;1-14-2-8-18(32-22(14)15-3-5-16(6-4-15)23(34)25(27,28)29)13-21(33)24(10-11-24)17-7-9-19-20(12-17)36-26(30,31)35-19;1-15-3-7-18(28-23(15)16-4-8-19(9-5-16)34(2,30)31)14-22(29)24(11-12-24)17-6-10-20-21(13-17)33-25(26,27)32-20;1-16-6-11-21(25-22(16)18-5-3-4-17(14-18)15-27)26-23(28)24(12-13-24)19-7-9-20(29-2)10-8-19;1-16-4-7-18(8-5-16)22-17(2)6-13-21(25-22)26-23(27)24(14-15-24)19-9-11-20(28-3)12-10-19;;;;;/h3-10,13H,11-12,14-15H2,1-2H3,(H2,30,31,34);2-9,12,23,34H,10-11,13H2,1H3;3-10,13H,11-12,14H2,1-2H3;3-11,14,27H,12-13,15H2,1-2H3,(H,25,26,28);4-13H,14-15H2,1-3H3,(H,25,26,27);5*1H.

What are the key properties of 1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(4-methylsulfonylphenyl)-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-2-pyridinyl]ethanone;1-[[4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]phenyl]methyl]-3-methylurea;N-[6-[3-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[5-methyl-6-(4-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?

1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(4-methylsulfonylphenyl)-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-2-pyridinyl]ethanone;1-[[4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]phenyl]methyl]-3-methylurea;N-[6-[3-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[5-methyl-6-(4-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 2255.47 g/mol, XLogP of 25.60, 30 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(4-methylsulfonylphenyl)-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-2-pyridinyl]ethanone;1-[[4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]phenyl]methyl]-3-methylurea;N-[6-[3-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[5-methyl-6-(4-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 158232219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).