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;N-[3-(cyclohexen-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide;molecular hydrogen

C120H103ClF5N7O18 — CID 158510828

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;N-[3-(cyclohexen-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide;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;N-[3-(cyclohexen-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 158510828) has the molecular formula C120H103ClF5N7O18 and a molecular weight of 2061.62 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;N-[3-(cyclohexen-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide;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;N-[3-(cyclohexen-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide;molecular hydrogen
• PubChem CID: 158510828
• Molecular Formula: C120H103ClF5N7O18
• Molecular Weight: 2061.62 g/mol
• Exact Mass: 2059.70
• 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;N-[3-(cyclohexen-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide;molecular hydrogen
• SMILES: CC(=O)c1cc(-c2cccc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)n2)ccc1Cl.CC(=O)c1cc(-c2nc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)ccc1F.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1-c1cccc(C(=O)O)c1.O=C(Nc1cccc(-c2ccc(CO)cc2)n1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Nc1cccc(C2=CCCCC2)c1)C1(c2ccccc2)CC1.[H][H]
• InChI: InChI=1S/C26H20F3NO4.C25H18ClF2NO4.C24H20N2O5.C23H20N2O4.C22H23NO.H2/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(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;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;24-21(22(14-15-22)19-11-5-2-6-12-19)23-20-13-7-10-18(16-20)17-8-3-1-4-9-17;/h3-8,11-12H,9-10,13H2,1-2H3;2-8,11-12H,9-10,13H2,1H3;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);2,5-8,10-13,16H,1,3-4,9,14-15H2,(H,23,24);1H
• InChIKey: HLAKKZQUCQGJSC-UHFFFAOYSA-N
• XLogP: 24.69
• TPSA: 338.51 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 26
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2061.62
LogP ≤ 5	24.69
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

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;N-[3-(cyclohexen-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide;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;N-[3-(cyclohexen-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide;molecular hydrogen (CID 158510828) 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;N-[3-(cyclohexen-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide;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;N-[3-(cyclohexen-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide;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;N-[3-(cyclohexen-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide;molecular hydrogen is CC(=O)c1cc(-c2cccc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)n2)ccc1Cl.CC(=O)c1cc(-c2nc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)ccc1F.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1-c1cccc(C(=O)O)c1.O=C(Nc1cccc(-c2ccc(CO)cc2)n1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Nc1cccc(C2=CCCCC2)c1)C1(c2ccccc2)CC1.[H][H].

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;N-[3-(cyclohexen-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide;molecular hydrogen?

The InChIKey is HLAKKZQUCQGJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3NO4.C25H18ClF2NO4.C24H20N2O5.C23H20N2O4.C22H23NO.H2/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(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;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;24-21(22(14-15-22)19-11-5-2-6-12-19)23-20-13-7-10-18(16-20)17-8-3-1-4-9-17;/h3-8,11-12H,9-10,13H2,1-2H3;2-8,11-12H,9-10,13H2,1H3;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);2,5-8,10-13,16H,1,3-4,9,14-15H2,(H,23,24);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;N-[3-(cyclohexen-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide;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;N-[3-(cyclohexen-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 2061.62 g/mol, XLogP of 24.69, 26 rotatable bonds, 5 hydrogen bond donors, and 21 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;N-[3-(cyclohexen-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 158510828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).