2-[6-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-4-fluorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(hydroxymethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-3-methylbenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-2-fluorobenzoic acid;molecular hydrogen

C148H121ClF10N8O27 — CID 161740698

About 2-[6-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-4-fluorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(hydroxymethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-3-methylbenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-2-fluorobenzoic acid;molecular hydrogen

2-[6-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-4-fluorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(hydroxymethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-3-methylbenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-2-fluorobenzoic acid;molecular hydrogen (PubChem CID 161740698) has the molecular formula C148H121ClF10N8O27 and a molecular weight of 2669.00 g/mol. Its IUPAC name is 2-[6-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-4-fluorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(hydroxymethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-3-methylbenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-2-fluorobenzoic acid;molecular hydrogen.

Molecular Properties

• Compound Name: 2-[6-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-4-fluorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(hydroxymethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-3-methylbenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-2-fluorobenzoic acid;molecular hydrogen
• PubChem CID: 161740698
• Molecular Formula: C148H121ClF10N8O27
• Molecular Weight: 2669.00 g/mol
• Exact Mass: 2667.79
• IUPAC Name: 2-[6-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-4-fluorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(hydroxymethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-3-methylbenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-2-fluorobenzoic acid;molecular hydrogen
• SMILES: [HH].[HH].[HH].CC1=C(N=C(C=C1)CC(=O)C2(CC2)C3=CC4=C(C=C3)OC(O4)(F)F)C5=CC(=C(C=C5)F)C(=O)C.CC1=C(N=C(C=C1)CC(=O)C2(CC2)C3=CC4=C(C=C3)OC(O4)(F)F)C5=C(C=C(C=C5)C(=O)O)C.CC1=C(N=C(C=C1)NC(=O)C2(CC2)C3=CC4=C(C=C3)OCO4)C5=CC(=CC=C5)C(=O)O.CC(=O)C1=C(C=CC(=C1)C2=CC=CC(=N2)CC(=O)C3(CC3)C4=CC5=C(C=C4)OC(O5)(F)F)Cl.C1CC1(C2=CC3=C(C=C2)OC(O3)(F)F)C(=O)CC4=NC(=CC=C4)C5=CC(=C(C=C5)C(=O)O)F.C1CC1(C2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=CC(=N4)C5=CC=C(C=C5)CO
• InChI: InChI=1S/C26H20F3NO4.C26H21F2NO5.C25H18ClF2NO4.C24H16F3NO5.C24H20N2O5.C23H20N2O4.3H2/c1-14-3-6-18(30-24(14)16-4-7-20(27)19(11-16)15(2)31)13-23(32)25(9-10-25)17-5-8-21-22(12-17)34-26(28,29)33-21;1-14-3-6-18(29-23(14)19-7-4-16(24(31)32)11-15(19)2)13-22(30)25(9-10-25)17-5-8-20-21(12-17)34-26(27,28)33-20;1-14(30)18-11-15(5-7-19(18)26)20-4-2-3-17(29-20)13-23(31)24(9-10-24)16-6-8-21-22(12-16)33-25(27,28)32-21;25-17-10-13(4-6-16(17)22(30)31)18-3-1-2-15(28-18)12-21(29)23(8-9-23)14-5-7-19-20(11-14)33-24(26,27)32-19;1-14-5-8-20(25-21(14)15-3-2-4-16(11-15)22(27)28)26-23(29)24(9-10-24)17-6-7-18-19(12-17)31-13-30-18;26-13-15-4-6-16(7-5-15)18-2-1-3-21(24-18)25-22(27)23(10-11-23)17-8-9-19-20(12-17)29-14-28-19;;;/h3-8,11-12H,9-10,13H2,1-2H3;3-8,11-12H,9-10,13H2,1-2H3,(H,31,32);2-8,11-12H,9-10,13H2,1H3;1-7,10-11H,8-9,12H2,(H,30,31);2-8,11-12H,9-10,13H2,1H3,(H,27,28)(H,25,26,29);1-9,12,26H,10-11,13-14H2,(H,24,25,27);3*1H
• InChIKey: XLBLOXJSMQCIQL-UHFFFAOYSA-N
• XLogP: —
• TPSA: 481.00 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 43
• Rotatable Bonds: 34
• Heavy Atoms: 194
• Complexity: 4440

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2669.00
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-4-fluorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(hydroxymethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-3-methylbenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-2-fluorobenzoic acid;molecular hydrogen?

The IUPAC name of 2-[6-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-4-fluorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(hydroxymethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-3-methylbenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-2-fluorobenzoic acid;molecular hydrogen (CID 161740698) is 2-[6-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-4-fluorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(hydroxymethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-3-methylbenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-2-fluorobenzoic acid;molecular hydrogen.

What is the SMILES notation for 2-[6-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-4-fluorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(hydroxymethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-3-methylbenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-2-fluorobenzoic acid;molecular hydrogen?

The canonical SMILES for 2-[6-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-4-fluorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(hydroxymethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-3-methylbenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-2-fluorobenzoic acid;molecular hydrogen is [HH].[HH].[HH].CC1=C(N=C(C=C1)CC(=O)C2(CC2)C3=CC4=C(C=C3)OC(O4)(F)F)C5=CC(=C(C=C5)F)C(=O)C.CC1=C(N=C(C=C1)CC(=O)C2(CC2)C3=CC4=C(C=C3)OC(O4)(F)F)C5=C(C=C(C=C5)C(=O)O)C.CC1=C(N=C(C=C1)NC(=O)C2(CC2)C3=CC4=C(C=C3)OCO4)C5=CC(=CC=C5)C(=O)O.CC(=O)C1=C(C=CC(=C1)C2=CC=CC(=N2)CC(=O)C3(CC3)C4=CC5=C(C=C4)OC(O5)(F)F)Cl.C1CC1(C2=CC3=C(C=C2)OC(O3)(F)F)C(=O)CC4=NC(=CC=C4)C5=CC(=C(C=C5)C(=O)O)F.C1CC1(C2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=CC(=N4)C5=CC=C(C=C5)CO.

What is the InChIKey of 2-[6-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-4-fluorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(hydroxymethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-3-methylbenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-2-fluorobenzoic acid;molecular hydrogen?

The InChIKey is XLBLOXJSMQCIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3NO4.C26H21F2NO5.C25H18ClF2NO4.C24H16F3NO5.C24H20N2O5.C23H20N2O4.3H2/c1-14-3-6-18(30-24(14)16-4-7-20(27)19(11-16)15(2)31)13-23(32)25(9-10-25)17-5-8-21-22(12-17)34-26(28,29)33-21;1-14-3-6-18(29-23(14)19-7-4-16(24(31)32)11-15(19)2)13-22(30)25(9-10-25)17-5-8-20-21(12-17)34-26(27,28)33-20;1-14(30)18-11-15(5-7-19(18)26)20-4-2-3-17(29-20)13-23(31)24(9-10-24)16-6-8-21-22(12-16)33-25(27,28)32-21;25-17-10-13(4-6-16(17)22(30)31)18-3-1-2-15(28-18)12-21(29)23(8-9-23)14-5-7-19-20(11-14)33-24(26,27)32-19;1-14-5-8-20(25-21(14)15-3-2-4-16(11-15)22(27)28)26-23(29)24(9-10-24)17-6-7-18-19(12-17)31-13-30-18;26-13-15-4-6-16(7-5-15)18-2-1-3-21(24-18)25-22(27)23(10-11-23)17-8-9-19-20(12-17)29-14-28-19;;;/h3-8,11-12H,9-10,13H2,1-2H3;3-8,11-12H,9-10,13H2,1-2H3,(H,31,32);2-8,11-12H,9-10,13H2,1H3;1-7,10-11H,8-9,12H2,(H,30,31);2-8,11-12H,9-10,13H2,1H3,(H,27,28)(H,25,26,29);1-9,12,26H,10-11,13-14H2,(H,24,25,27);3*1H.

What are the key properties of 2-[6-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-4-fluorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(hydroxymethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-3-methylbenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-2-fluorobenzoic acid;molecular hydrogen?

2-[6-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-4-fluorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(hydroxymethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-3-methylbenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-2-fluorobenzoic acid;molecular hydrogen has a molecular weight of 2669.00 g/mol, XLogP of not available, 34 rotatable bonds, 6 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-4-fluorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(hydroxymethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-3-methylbenzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-2-fluorobenzoic acid;molecular hydrogen is sourced from PubChem (CID 161740698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).