2-[4-(3-acetylphenyl)-5-methylpyrimidin-2-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(6-benzylpyridazin-3-yl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-chlorophenyl)methyl]pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[3-(hydroxymethyl)phenyl]-6-methyl-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxyanilino)-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(6-methyl-5-phenyl-3-pyridinyl)ethanone;1-(1,3-benzodioxol-5-yl)-N-pyridin-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen

C166H143ClF5N13O24 — CID 160508769

About 2-[4-(3-acetylphenyl)-5-methylpyrimidin-2-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(6-benzylpyridazin-3-yl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-chlorophenyl)methyl]pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[3-(hydroxymethyl)phenyl]-6-methyl-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxyanilino)-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(6-methyl-5-phenyl-3-pyridinyl)ethanone;1-(1,3-benzodioxol-5-yl)-N-pyridin-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen

2-[4-(3-acetylphenyl)-5-methylpyrimidin-2-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(6-benzylpyridazin-3-yl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-chlorophenyl)methyl]pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[3-(hydroxymethyl)phenyl]-6-methyl-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxyanilino)-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(6-methyl-5-phenyl-3-pyridinyl)ethanone;1-(1,3-benzodioxol-5-yl)-N-pyridin-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 160508769) has the molecular formula C166H143ClF5N13O24 and a molecular weight of 2834.48 g/mol. Its IUPAC name is 2-[4-(3-acetylphenyl)-5-methylpyrimidin-2-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(6-benzylpyridazin-3-yl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-chlorophenyl)methyl]pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[3-(hydroxymethyl)phenyl]-6-methyl-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxyanilino)-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(6-methyl-5-phenyl-3-pyridinyl)ethanone;1-(1,3-benzodioxol-5-yl)-N-pyridin-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 2-[4-(3-acetylphenyl)-5-methylpyrimidin-2-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(6-benzylpyridazin-3-yl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-chlorophenyl)methyl]pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[3-(hydroxymethyl)phenyl]-6-methyl-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxyanilino)-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(6-methyl-5-phenyl-3-pyridinyl)ethanone;1-(1,3-benzodioxol-5-yl)-N-pyridin-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
• PubChem CID: 160508769
• Molecular Formula: C166H143ClF5N13O24
• Molecular Weight: 2834.48 g/mol
• Exact Mass: 2832.00
• IUPAC Name: 2-[4-(3-acetylphenyl)-5-methylpyrimidin-2-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(6-benzylpyridazin-3-yl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-chlorophenyl)methyl]pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[3-(hydroxymethyl)phenyl]-6-methyl-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxyanilino)-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(6-methyl-5-phenyl-3-pyridinyl)ethanone;1-(1,3-benzodioxol-5-yl)-N-pyridin-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
• SMILES: CC(=O)c1cccc(-c2nc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ncc2C)c1.COc1ccccc1Nc1ccc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)cn1.Cc1ncc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1cccc(CO)c1.Cc1ncc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccccc1.O=C(Cc1ccc(Cc2ccccc2)nn1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Cc1ccc(Cc2ccccc2Cl)nn1)C1(c2ccc3c(c2)OCO3)CC1.O=C(N(c1ccnc(C(F)(F)F)c1)c1ccccn1)C1(c2ccc3c(c2)OCO3)CC1.[H][H]
• InChI: InChI=1S/C25H20F2N2O4.C25H23NO4.C24H22N2O4.C24H21NO3.C23H19ClN2O3.C23H20N2O3.C22H16F3N3O3.H2/c1-14-13-28-22(29-23(14)17-5-3-4-16(10-17)15(2)30)12-21(31)24(8-9-24)18-6-7-19-20(11-18)33-25(26,27)32-19;1-16-21(19-4-2-3-17(9-19)14-27)10-18(13-26-16)11-24(28)25(7-8-25)20-5-6-22-23(12-20)30-15-29-22;1-28-19-5-3-2-4-18(19)26-23-9-6-16(14-25-23)12-22(27)24(10-11-24)17-7-8-20-21(13-17)30-15-29-20;1-16-20(18-5-3-2-4-6-18)11-17(14-25-16)12-23(26)24(9-10-24)19-7-8-21-22(13-19)28-15-27-21;24-19-4-2-1-3-15(19)11-17-6-7-18(26-25-17)13-22(27)23(9-10-23)16-5-8-20-21(12-16)29-14-28-20;26-22(23(10-11-23)17-6-9-20-21(13-17)28-15-27-20)14-19-8-7-18(24-25-19)12-16-4-2-1-3-5-16;23-22(24,25)18-12-15(6-10-26-18)28(19-3-1-2-9-27-19)20(29)21(7-8-21)14-4-5-16-17(11-14)31-13-30-16;/h3-7,10-11,13H,8-9,12H2,1-2H3;2-6,9-10,12-13,27H,7-8,11,14-15H2,1H3;2-9,13-14H,10-12,15H2,1H3,(H,25,26);2-8,11,13-14H,9-10,12,15H2,1H3;1-8,12H,9-11,13-14H2;1-9,13H,10-12,14-15H2;1-6,9-12H,7-8,13H2;1H
• InChIKey: QSTOVJSYGBMFHY-UHFFFAOYSA-N
• XLogP: 30.77
• TPSA: 452.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 36
• Rotatable Bonds: 40
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2834.48
LogP ≤ 5	30.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-acetylphenyl)-5-methylpyrimidin-2-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(6-benzylpyridazin-3-yl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-chlorophenyl)methyl]pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[3-(hydroxymethyl)phenyl]-6-methyl-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxyanilino)-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(6-methyl-5-phenyl-3-pyridinyl)ethanone;1-(1,3-benzodioxol-5-yl)-N-pyridin-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?

The IUPAC name of 2-[4-(3-acetylphenyl)-5-methylpyrimidin-2-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(6-benzylpyridazin-3-yl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-chlorophenyl)methyl]pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[3-(hydroxymethyl)phenyl]-6-methyl-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxyanilino)-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(6-methyl-5-phenyl-3-pyridinyl)ethanone;1-(1,3-benzodioxol-5-yl)-N-pyridin-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen (CID 160508769) is 2-[4-(3-acetylphenyl)-5-methylpyrimidin-2-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(6-benzylpyridazin-3-yl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-chlorophenyl)methyl]pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[3-(hydroxymethyl)phenyl]-6-methyl-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxyanilino)-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(6-methyl-5-phenyl-3-pyridinyl)ethanone;1-(1,3-benzodioxol-5-yl)-N-pyridin-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen.

What is the SMILES notation for 2-[4-(3-acetylphenyl)-5-methylpyrimidin-2-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(6-benzylpyridazin-3-yl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-chlorophenyl)methyl]pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[3-(hydroxymethyl)phenyl]-6-methyl-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxyanilino)-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(6-methyl-5-phenyl-3-pyridinyl)ethanone;1-(1,3-benzodioxol-5-yl)-N-pyridin-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?

The canonical SMILES for 2-[4-(3-acetylphenyl)-5-methylpyrimidin-2-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(6-benzylpyridazin-3-yl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-chlorophenyl)methyl]pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[3-(hydroxymethyl)phenyl]-6-methyl-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxyanilino)-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(6-methyl-5-phenyl-3-pyridinyl)ethanone;1-(1,3-benzodioxol-5-yl)-N-pyridin-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen is CC(=O)c1cccc(-c2nc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ncc2C)c1.COc1ccccc1Nc1ccc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)cn1.Cc1ncc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1cccc(CO)c1.Cc1ncc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccccc1.O=C(Cc1ccc(Cc2ccccc2)nn1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Cc1ccc(Cc2ccccc2Cl)nn1)C1(c2ccc3c(c2)OCO3)CC1.O=C(N(c1ccnc(C(F)(F)F)c1)c1ccccn1)C1(c2ccc3c(c2)OCO3)CC1.[H][H].

What is the InChIKey of 2-[4-(3-acetylphenyl)-5-methylpyrimidin-2-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(6-benzylpyridazin-3-yl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-chlorophenyl)methyl]pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[3-(hydroxymethyl)phenyl]-6-methyl-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxyanilino)-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(6-methyl-5-phenyl-3-pyridinyl)ethanone;1-(1,3-benzodioxol-5-yl)-N-pyridin-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?

The InChIKey is QSTOVJSYGBMFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N2O4.C25H23NO4.C24H22N2O4.C24H21NO3.C23H19ClN2O3.C23H20N2O3.C22H16F3N3O3.H2/c1-14-13-28-22(29-23(14)17-5-3-4-16(10-17)15(2)30)12-21(31)24(8-9-24)18-6-7-19-20(11-18)33-25(26,27)32-19;1-16-21(19-4-2-3-17(9-19)14-27)10-18(13-26-16)11-24(28)25(7-8-25)20-5-6-22-23(12-20)30-15-29-22;1-28-19-5-3-2-4-18(19)26-23-9-6-16(14-25-23)12-22(27)24(10-11-24)17-7-8-20-21(13-17)30-15-29-20;1-16-20(18-5-3-2-4-6-18)11-17(14-25-16)12-23(26)24(9-10-24)19-7-8-21-22(13-19)28-15-27-21;24-19-4-2-1-3-15(19)11-17-6-7-18(26-25-17)13-22(27)23(9-10-23)16-5-8-20-21(12-16)29-14-28-20;26-22(23(10-11-23)17-6-9-20-21(13-17)28-15-27-20)14-19-8-7-18(24-25-19)12-16-4-2-1-3-5-16;23-22(24,25)18-12-15(6-10-26-18)28(19-3-1-2-9-27-19)20(29)21(7-8-21)14-4-5-16-17(11-14)31-13-30-16;/h3-7,10-11,13H,8-9,12H2,1-2H3;2-6,9-10,12-13,27H,7-8,11,14-15H2,1H3;2-9,13-14H,10-12,15H2,1H3,(H,25,26);2-8,11,13-14H,9-10,12,15H2,1H3;1-8,12H,9-11,13-14H2;1-9,13H,10-12,14-15H2;1-6,9-12H,7-8,13H2;1H.

What are the key properties of 2-[4-(3-acetylphenyl)-5-methylpyrimidin-2-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(6-benzylpyridazin-3-yl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-chlorophenyl)methyl]pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[3-(hydroxymethyl)phenyl]-6-methyl-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxyanilino)-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(6-methyl-5-phenyl-3-pyridinyl)ethanone;1-(1,3-benzodioxol-5-yl)-N-pyridin-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?

2-[4-(3-acetylphenyl)-5-methylpyrimidin-2-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(6-benzylpyridazin-3-yl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-chlorophenyl)methyl]pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[3-(hydroxymethyl)phenyl]-6-methyl-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxyanilino)-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(6-methyl-5-phenyl-3-pyridinyl)ethanone;1-(1,3-benzodioxol-5-yl)-N-pyridin-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 2834.48 g/mol, XLogP of 30.77, 40 rotatable bonds, 2 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(3-acetylphenyl)-5-methylpyrimidin-2-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(6-benzylpyridazin-3-yl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-chlorophenyl)methyl]pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[3-(hydroxymethyl)phenyl]-6-methyl-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxyanilino)-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(6-methyl-5-phenyl-3-pyridinyl)ethanone;1-(1,3-benzodioxol-5-yl)-N-pyridin-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 160508769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).