N-[2-(3-acetylphenyl)-4-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(5-benzylpyrazin-2-yl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-chlorophenyl)methyl]pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-methyl-5-(4-propan-2-ylsulfonylphenyl)-3-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-(6-methoxy-3-pyridinyl)-5-methylpyrimidin-2-yl]ethanone;4-[2-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-5-methylpyrimidin-4-yl]benzoic acid;molecular hydrogen

C144H123ClF6N12O24S — CID 159777668

About N-[2-(3-acetylphenyl)-4-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(5-benzylpyrazin-2-yl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-chlorophenyl)methyl]pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-methyl-5-(4-propan-2-ylsulfonylphenyl)-3-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-(6-methoxy-3-pyridinyl)-5-methylpyrimidin-2-yl]ethanone;4-[2-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-5-methylpyrimidin-4-yl]benzoic acid;molecular hydrogen

N-[2-(3-acetylphenyl)-4-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(5-benzylpyrazin-2-yl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-chlorophenyl)methyl]pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-methyl-5-(4-propan-2-ylsulfonylphenyl)-3-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-(6-methoxy-3-pyridinyl)-5-methylpyrimidin-2-yl]ethanone;4-[2-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-5-methylpyrimidin-4-yl]benzoic acid;molecular hydrogen (PubChem CID 159777668) has the molecular formula C144H123ClF6N12O24S and a molecular weight of 2587.14 g/mol. Its IUPAC name is N-[2-(3-acetylphenyl)-4-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(5-benzylpyrazin-2-yl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-chlorophenyl)methyl]pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-methyl-5-(4-propan-2-ylsulfonylphenyl)-3-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-(6-methoxy-3-pyridinyl)-5-methylpyrimidin-2-yl]ethanone;4-[2-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-5-methylpyrimidin-4-yl]benzoic acid;molecular hydrogen.

Molecular Properties

• Compound Name: N-[2-(3-acetylphenyl)-4-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(5-benzylpyrazin-2-yl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-chlorophenyl)methyl]pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-methyl-5-(4-propan-2-ylsulfonylphenyl)-3-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-(6-methoxy-3-pyridinyl)-5-methylpyrimidin-2-yl]ethanone;4-[2-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-5-methylpyrimidin-4-yl]benzoic acid;molecular hydrogen
• PubChem CID: 159777668
• Molecular Formula: C144H123ClF6N12O24S
• Molecular Weight: 2587.14 g/mol
• Exact Mass: 2584.81
• IUPAC Name: N-[2-(3-acetylphenyl)-4-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(5-benzylpyrazin-2-yl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-chlorophenyl)methyl]pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-methyl-5-(4-propan-2-ylsulfonylphenyl)-3-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-(6-methoxy-3-pyridinyl)-5-methylpyrimidin-2-yl]ethanone;4-[2-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-5-methylpyrimidin-4-yl]benzoic acid;molecular hydrogen
• SMILES: CC(=O)c1cccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccn2)c1.COc1ccc(-c2nc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ncc2C)cn1.Cc1cnc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc(C(=O)O)cc1.Cc1ncc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(S(=O)(=O)C(C)C)cc1.O=C(Cc1cnc(Cc2ccccc2)cn1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Cc1cncc(Cc2ccccc2Cl)n1)C1(c2ccc3c(c2)OCO3)CC1.[H][H]
• InChI: InChI=1S/C27H27NO5S.C24H18F2N2O5.C24H18F2N2O4.C23H19ClN2O3.C23H19F2N3O4.C23H20N2O3.H2/c1-17(2)34(30,31)22-7-4-20(5-8-22)23-12-19(15-28-18(23)3)13-26(29)27(10-11-27)21-6-9-24-25(14-21)33-16-32-24;1-13-12-27-20(28-21(13)14-2-4-15(5-3-14)22(30)31)11-19(29)23(8-9-23)16-6-7-17-18(10-16)33-24(25,26)32-17;1-14(29)15-3-2-4-16(11-15)19-13-18(7-10-27-19)28-22(30)23(8-9-23)17-5-6-20-21(12-17)32-24(25,26)31-20;24-19-4-2-1-3-15(19)9-17-12-25-13-18(26-17)11-22(27)23(7-8-23)16-5-6-20-21(10-16)29-14-28-20;1-13-11-26-19(28-21(13)14-3-6-20(30-2)27-12-14)10-18(29)22(7-8-22)15-4-5-16-17(9-15)32-23(24,25)31-16;26-22(23(8-9-23)17-6-7-20-21(11-17)28-15-27-20)12-19-14-24-18(13-25-19)10-16-4-2-1-3-5-16;/h4-9,12,14-15,17H,10-11,13,16H2,1-3H3;2-7,10,12H,8-9,11H2,1H3,(H,30,31);2-7,10-13H,8-9H2,1H3,(H,27,28,30);1-6,10,12-13H,7-9,11,14H2;3-6,9,11-12H,7-8,10H2,1-2H3;1-7,11,13-14H,8-10,12,15H2;1H
• InChIKey: NGYLKMBRCCCSTJ-UHFFFAOYSA-N
• XLogP: 26.27
• TPSA: 464.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 34
• Rotatable Bonds: 36
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2587.14
LogP ≤ 5	26.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-acetylphenyl)-4-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(5-benzylpyrazin-2-yl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-chlorophenyl)methyl]pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-methyl-5-(4-propan-2-ylsulfonylphenyl)-3-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-(6-methoxy-3-pyridinyl)-5-methylpyrimidin-2-yl]ethanone;4-[2-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-5-methylpyrimidin-4-yl]benzoic acid;molecular hydrogen?

The IUPAC name of N-[2-(3-acetylphenyl)-4-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(5-benzylpyrazin-2-yl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-chlorophenyl)methyl]pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-methyl-5-(4-propan-2-ylsulfonylphenyl)-3-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-(6-methoxy-3-pyridinyl)-5-methylpyrimidin-2-yl]ethanone;4-[2-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-5-methylpyrimidin-4-yl]benzoic acid;molecular hydrogen (CID 159777668) is N-[2-(3-acetylphenyl)-4-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(5-benzylpyrazin-2-yl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-chlorophenyl)methyl]pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-methyl-5-(4-propan-2-ylsulfonylphenyl)-3-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-(6-methoxy-3-pyridinyl)-5-methylpyrimidin-2-yl]ethanone;4-[2-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-5-methylpyrimidin-4-yl]benzoic acid;molecular hydrogen.

What is the SMILES notation for N-[2-(3-acetylphenyl)-4-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(5-benzylpyrazin-2-yl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-chlorophenyl)methyl]pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-methyl-5-(4-propan-2-ylsulfonylphenyl)-3-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-(6-methoxy-3-pyridinyl)-5-methylpyrimidin-2-yl]ethanone;4-[2-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-5-methylpyrimidin-4-yl]benzoic acid;molecular hydrogen?

The canonical SMILES for N-[2-(3-acetylphenyl)-4-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(5-benzylpyrazin-2-yl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-chlorophenyl)methyl]pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-methyl-5-(4-propan-2-ylsulfonylphenyl)-3-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-(6-methoxy-3-pyridinyl)-5-methylpyrimidin-2-yl]ethanone;4-[2-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-5-methylpyrimidin-4-yl]benzoic acid;molecular hydrogen is CC(=O)c1cccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccn2)c1.COc1ccc(-c2nc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ncc2C)cn1.Cc1cnc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc(C(=O)O)cc1.Cc1ncc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(S(=O)(=O)C(C)C)cc1.O=C(Cc1cnc(Cc2ccccc2)cn1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Cc1cncc(Cc2ccccc2Cl)n1)C1(c2ccc3c(c2)OCO3)CC1.[H][H].

What is the InChIKey of N-[2-(3-acetylphenyl)-4-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(5-benzylpyrazin-2-yl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-chlorophenyl)methyl]pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-methyl-5-(4-propan-2-ylsulfonylphenyl)-3-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-(6-methoxy-3-pyridinyl)-5-methylpyrimidin-2-yl]ethanone;4-[2-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-5-methylpyrimidin-4-yl]benzoic acid;molecular hydrogen?

The InChIKey is NGYLKMBRCCCSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO5S.C24H18F2N2O5.C24H18F2N2O4.C23H19ClN2O3.C23H19F2N3O4.C23H20N2O3.H2/c1-17(2)34(30,31)22-7-4-20(5-8-22)23-12-19(15-28-18(23)3)13-26(29)27(10-11-27)21-6-9-24-25(14-21)33-16-32-24;1-13-12-27-20(28-21(13)14-2-4-15(5-3-14)22(30)31)11-19(29)23(8-9-23)16-6-7-17-18(10-16)33-24(25,26)32-17;1-14(29)15-3-2-4-16(11-15)19-13-18(7-10-27-19)28-22(30)23(8-9-23)17-5-6-20-21(12-17)32-24(25,26)31-20;24-19-4-2-1-3-15(19)9-17-12-25-13-18(26-17)11-22(27)23(7-8-23)16-5-6-20-21(10-16)29-14-28-20;1-13-11-26-19(28-21(13)14-3-6-20(30-2)27-12-14)10-18(29)22(7-8-22)15-4-5-16-17(9-15)32-23(24,25)31-16;26-22(23(8-9-23)17-6-7-20-21(11-17)28-15-27-20)12-19-14-24-18(13-25-19)10-16-4-2-1-3-5-16;/h4-9,12,14-15,17H,10-11,13,16H2,1-3H3;2-7,10,12H,8-9,11H2,1H3,(H,30,31);2-7,10-13H,8-9H2,1H3,(H,27,28,30);1-6,10,12-13H,7-9,11,14H2;3-6,9,11-12H,7-8,10H2,1-2H3;1-7,11,13-14H,8-10,12,15H2;1H.

What are the key properties of N-[2-(3-acetylphenyl)-4-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(5-benzylpyrazin-2-yl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-chlorophenyl)methyl]pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-methyl-5-(4-propan-2-ylsulfonylphenyl)-3-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-(6-methoxy-3-pyridinyl)-5-methylpyrimidin-2-yl]ethanone;4-[2-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-5-methylpyrimidin-4-yl]benzoic acid;molecular hydrogen?

N-[2-(3-acetylphenyl)-4-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(5-benzylpyrazin-2-yl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-chlorophenyl)methyl]pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-methyl-5-(4-propan-2-ylsulfonylphenyl)-3-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-(6-methoxy-3-pyridinyl)-5-methylpyrimidin-2-yl]ethanone;4-[2-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-5-methylpyrimidin-4-yl]benzoic acid;molecular hydrogen has a molecular weight of 2587.14 g/mol, XLogP of 26.27, 36 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-acetylphenyl)-4-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(5-benzylpyrazin-2-yl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-chlorophenyl)methyl]pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-methyl-5-(4-propan-2-ylsulfonylphenyl)-3-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-(6-methoxy-3-pyridinyl)-5-methylpyrimidin-2-yl]ethanone;4-[2-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-5-methylpyrimidin-4-yl]benzoic acid;molecular hydrogen is sourced from PubChem (CID 159777668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).