1-(4H-1,3-benzodioxin-7-yl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(3,3-difluoropyrrolidin-1-yl)sulfonylphenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]ethanone;1-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]phenyl]propan-1-one;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide;molecular hydrogen

C134H139F2N9O25S3 — CID 158632825

About 1-(4H-1,3-benzodioxin-7-yl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(3,3-difluoropyrrolidin-1-yl)sulfonylphenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]ethanone;1-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]phenyl]propan-1-one;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide;molecular hydrogen

1-(4H-1,3-benzodioxin-7-yl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(3,3-difluoropyrrolidin-1-yl)sulfonylphenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]ethanone;1-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]phenyl]propan-1-one;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide;molecular hydrogen (PubChem CID 158632825) has the molecular formula C134H139F2N9O25S3 and a molecular weight of 2409.82 g/mol. Its IUPAC name is 1-(4H-1,3-benzodioxin-7-yl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(3,3-difluoropyrrolidin-1-yl)sulfonylphenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]ethanone;1-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]phenyl]propan-1-one;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: 1-(4H-1,3-benzodioxin-7-yl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(3,3-difluoropyrrolidin-1-yl)sulfonylphenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]ethanone;1-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]phenyl]propan-1-one;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide;molecular hydrogen
• PubChem CID: 158632825
• Molecular Formula: C134H139F2N9O25S3
• Molecular Weight: 2409.82 g/mol
• Exact Mass: 2407.90
• IUPAC Name: 1-(4H-1,3-benzodioxin-7-yl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(3,3-difluoropyrrolidin-1-yl)sulfonylphenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]ethanone;1-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]phenyl]propan-1-one;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide;molecular hydrogen
• SMILES: CC(C)(CO)NS(=O)(=O)c1ccc(-c2cccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1.CCC(=O)c1ccc(-c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2C)cc1.Cc1nc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc1-c1ccc(CO)cc1.O=C(Cc1cccc(-c2ccc(S(=O)(=O)N3CCC(F)(F)C3)cc2)n1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Nc1cccc(-c2ccc(S(=O)(=O)N3CCC[C@@H]3CO)cc2)n1)C1(c2ccc3c(c2)OCOC3)CC1.[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C28H29N3O6S.C27H24F2N2O5S.C27H28N2O6S.C27H25NO4.C25H23NO4.5H2/c32-16-22-3-2-14-31(22)38(34,35)23-10-7-19(8-11-23)24-4-1-5-26(29-24)30-27(33)28(12-13-28)21-9-6-20-17-36-18-37-25(20)15-21;28-27(29)12-13-31(16-27)37(33,34)21-7-4-18(5-8-21)22-3-1-2-20(30-22)15-25(32)26(10-11-26)19-6-9-23-24(14-19)36-17-35-23;1-26(2,16-30)29-36(32,33)21-9-6-18(7-10-21)22-5-3-4-20(28-22)15-25(31)27(12-13-27)19-8-11-23-24(14-19)35-17-34-23;1-3-23(29)19-6-4-18(5-7-19)22-10-9-21(28-17(22)2)15-26(30)27(12-13-27)20-8-11-24-25(14-20)32-16-31-24;1-16-21(18-4-2-17(14-27)3-5-18)8-7-20(26-16)13-24(28)25(10-11-25)19-6-9-22-23(12-19)30-15-29-22;;;;;/h1,4-11,15,22,32H,2-3,12-14,16-18H2,(H,29,30,33);1-9,14H,10-13,15-17H2;3-11,14,29-30H,12-13,15-17H2,1-2H3;4-11,14H,3,12-13,15-16H2,1-2H3;2-9,12,27H,10-11,13-15H2,1H3;5*1H/t22-;;;;;;;;;/m1........./s1
• InChIKey: HZKCQXQENHZQIY-YLLQWZTBSA-N
• XLogP: 21.72
• TPSA: 452.82 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 36
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2409.82
LogP ≤ 5	21.72
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 1-(4H-1,3-benzodioxin-7-yl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(3,3-difluoropyrrolidin-1-yl)sulfonylphenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]ethanone;1-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]phenyl]propan-1-one;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide;molecular hydrogen?

The IUPAC name of 1-(4H-1,3-benzodioxin-7-yl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(3,3-difluoropyrrolidin-1-yl)sulfonylphenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]ethanone;1-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]phenyl]propan-1-one;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide;molecular hydrogen (CID 158632825) is 1-(4H-1,3-benzodioxin-7-yl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(3,3-difluoropyrrolidin-1-yl)sulfonylphenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]ethanone;1-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]phenyl]propan-1-one;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide;molecular hydrogen.

What is the SMILES notation for 1-(4H-1,3-benzodioxin-7-yl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(3,3-difluoropyrrolidin-1-yl)sulfonylphenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]ethanone;1-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]phenyl]propan-1-one;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide;molecular hydrogen?

The canonical SMILES for 1-(4H-1,3-benzodioxin-7-yl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(3,3-difluoropyrrolidin-1-yl)sulfonylphenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]ethanone;1-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]phenyl]propan-1-one;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide;molecular hydrogen is CC(C)(CO)NS(=O)(=O)c1ccc(-c2cccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1.CCC(=O)c1ccc(-c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2C)cc1.Cc1nc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc1-c1ccc(CO)cc1.O=C(Cc1cccc(-c2ccc(S(=O)(=O)N3CCC(F)(F)C3)cc2)n1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Nc1cccc(-c2ccc(S(=O)(=O)N3CCC[C@@H]3CO)cc2)n1)C1(c2ccc3c(c2)OCOC3)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 1-(4H-1,3-benzodioxin-7-yl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(3,3-difluoropyrrolidin-1-yl)sulfonylphenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]ethanone;1-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]phenyl]propan-1-one;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide;molecular hydrogen?

The InChIKey is HZKCQXQENHZQIY-YLLQWZTBSA-N. The full InChI is InChI=1S/C28H29N3O6S.C27H24F2N2O5S.C27H28N2O6S.C27H25NO4.C25H23NO4.5H2/c32-16-22-3-2-14-31(22)38(34,35)23-10-7-19(8-11-23)24-4-1-5-26(29-24)30-27(33)28(12-13-28)21-9-6-20-17-36-18-37-25(20)15-21;28-27(29)12-13-31(16-27)37(33,34)21-7-4-18(5-8-21)22-3-1-2-20(30-22)15-25(32)26(10-11-26)19-6-9-23-24(14-19)36-17-35-23;1-26(2,16-30)29-36(32,33)21-9-6-18(7-10-21)22-5-3-4-20(28-22)15-25(31)27(12-13-27)19-8-11-23-24(14-19)35-17-34-23;1-3-23(29)19-6-4-18(5-7-19)22-10-9-21(28-17(22)2)15-26(30)27(12-13-27)20-8-11-24-25(14-20)32-16-31-24;1-16-21(18-4-2-17(14-27)3-5-18)8-7-20(26-16)13-24(28)25(10-11-25)19-6-9-22-23(12-19)30-15-29-22;;;;;/h1,4-11,15,22,32H,2-3,12-14,16-18H2,(H,29,30,33);1-9,14H,10-13,15-17H2;3-11,14,29-30H,12-13,15-17H2,1-2H3;4-11,14H,3,12-13,15-16H2,1-2H3;2-9,12,27H,10-11,13-15H2,1H3;5*1H/t22-;;;;;;;;;/m1........./s1.

What are the key properties of 1-(4H-1,3-benzodioxin-7-yl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(3,3-difluoropyrrolidin-1-yl)sulfonylphenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]ethanone;1-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]phenyl]propan-1-one;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide;molecular hydrogen?

1-(4H-1,3-benzodioxin-7-yl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(3,3-difluoropyrrolidin-1-yl)sulfonylphenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]ethanone;1-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]phenyl]propan-1-one;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide;molecular hydrogen has a molecular weight of 2409.82 g/mol, XLogP of 21.72, 36 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4H-1,3-benzodioxin-7-yl)-N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(3,3-difluoropyrrolidin-1-yl)sulfonylphenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]ethanone;1-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]phenyl]propan-1-one;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 158632825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).