azetidin-1-yl-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]methanone;N-(1-bicyclo[1.1.1]pentanyl)-5-[2-[(2-methoxypyrimidin-4-yl)amino]-4-pyridinyl]-N-methylpyridine-3-carboxamide;2,4-difluoro-N-[2-methoxy-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;1-(2,4-difluorophenyl)-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]ethanone;N-[2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[4-[5-(dimethylsulfamoylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide

C128H121F8N27O14S3 — CID 159701701

About azetidin-1-yl-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]methanone;N-(1-bicyclo[1.1.1]pentanyl)-5-[2-[(2-methoxypyrimidin-4-yl)amino]-4-pyridinyl]-N-methylpyridine-3-carboxamide;2,4-difluoro-N-[2-methoxy-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;1-(2,4-difluorophenyl)-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]ethanone;N-[2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[4-[5-(dimethylsulfamoylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide

azetidin-1-yl-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]methanone;N-(1-bicyclo[1.1.1]pentanyl)-5-[2-[(2-methoxypyrimidin-4-yl)amino]-4-pyridinyl]-N-methylpyridine-3-carboxamide;2,4-difluoro-N-[2-methoxy-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;1-(2,4-difluorophenyl)-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]ethanone;N-[2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[4-[5-(dimethylsulfamoylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide (PubChem CID 159701701) has the molecular formula C128H121F8N27O14S3 and a molecular weight of 2509.74 g/mol. Its IUPAC name is azetidin-1-yl-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]methanone;N-(1-bicyclo[1.1.1]pentanyl)-5-[2-[(2-methoxypyrimidin-4-yl)amino]-4-pyridinyl]-N-methylpyridine-3-carboxamide;2,4-difluoro-N-[2-methoxy-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;1-(2,4-difluorophenyl)-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]ethanone;N-[2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[4-[5-(dimethylsulfamoylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: azetidin-1-yl-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]methanone;N-(1-bicyclo[1.1.1]pentanyl)-5-[2-[(2-methoxypyrimidin-4-yl)amino]-4-pyridinyl]-N-methylpyridine-3-carboxamide;2,4-difluoro-N-[2-methoxy-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;1-(2,4-difluorophenyl)-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]ethanone;N-[2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[4-[5-(dimethylsulfamoylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide
• PubChem CID: 159701701
• Molecular Formula: C128H121F8N27O14S3
• Molecular Weight: 2509.74 g/mol
• Exact Mass: 2507.86
• IUPAC Name: azetidin-1-yl-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]methanone;N-(1-bicyclo[1.1.1]pentanyl)-5-[2-[(2-methoxypyrimidin-4-yl)amino]-4-pyridinyl]-N-methylpyridine-3-carboxamide;2,4-difluoro-N-[2-methoxy-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;1-(2,4-difluorophenyl)-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]ethanone;N-[2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[4-[5-(dimethylsulfamoylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide
• SMILES: CC(=O)Cc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccc(F)cc3F)c2C)ccn1.COc1ncc(-c2ccnc(CC(C)=O)c2)c(C)c1NS(=O)(=O)c1ccc(F)cc1F.COc1nccc(Nc2cc(-c3cncc(C(=O)N(C)C45CC(C4)C5)c3)ccn2)n1.Cc1ncc(-c2ccnc(NC(=O)C3CC3(F)F)c2)cc1CS(=O)(=O)N(C)C.Cc1ncc(-c2ccnc(Nc3ccnc(C4CC4)n3)c2)cc1C(=O)N1CCC1.Cc1nccc(Nc2cc(-c3cnc(C)c(CC(=O)c4ccc(F)cc4F)c3)ccn2)n1
• InChI: InChI=1S/C24H19F2N5O.C22H22N6O2.C22H22N6O.C21H19F2N3O4S.C21H19F2N3O3S.C18H20F2N4O3S/c1-14-17(10-22(32)20-4-3-19(25)12-21(20)26)9-18(13-29-14)16-5-7-28-24(11-16)31-23-6-8-27-15(2)30-23;1-28(22-9-14(10-22)11-22)20(29)17-7-16(12-23-13-17)15-3-5-24-19(8-15)26-18-4-6-25-21(27-18)30-2;1-14-18(22(29)28-9-2-10-28)11-17(13-25-14)16-5-7-23-20(12-16)26-19-6-8-24-21(27-19)15-3-4-15;1-12(27)8-16-9-14(6-7-24-16)17-11-25-21(30-3)20(13(17)2)26-31(28,29)19-5-4-15(22)10-18(19)23;1-12(27)8-17-9-15(6-7-24-17)18-11-25-14(3)21(13(18)2)26-30(28,29)20-5-4-16(22)10-19(20)23;1-11-14(10-28(26,27)24(2)3)6-13(9-22-11)12-4-5-21-16(7-12)23-17(25)15-8-18(15,19)20/h3-9,11-13H,10H2,1-2H3,(H,27,28,30,31);3-8,12-14H,9-11H2,1-2H3,(H,24,25,26,27);5-8,11-13,15H,2-4,9-10H2,1H3,(H,23,24,26,27);4-7,9-11,26H,8H2,1-3H3;4-7,9-11,26H,8H2,1-3H3;4-7,9,15H,8,10H2,1-3H3,(H,21,23,25)
• InChIKey: MXRYCDJTVQVOLV-UHFFFAOYSA-N
• XLogP: 22.10
• TPSA: 537.22 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 36
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2509.74
LogP ≤ 5	22.10
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]methanone;N-(1-bicyclo[1.1.1]pentanyl)-5-[2-[(2-methoxypyrimidin-4-yl)amino]-4-pyridinyl]-N-methylpyridine-3-carboxamide;2,4-difluoro-N-[2-methoxy-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;1-(2,4-difluorophenyl)-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]ethanone;N-[2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[4-[5-(dimethylsulfamoylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide?

The IUPAC name of azetidin-1-yl-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]methanone;N-(1-bicyclo[1.1.1]pentanyl)-5-[2-[(2-methoxypyrimidin-4-yl)amino]-4-pyridinyl]-N-methylpyridine-3-carboxamide;2,4-difluoro-N-[2-methoxy-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;1-(2,4-difluorophenyl)-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]ethanone;N-[2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[4-[5-(dimethylsulfamoylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide (CID 159701701) is azetidin-1-yl-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]methanone;N-(1-bicyclo[1.1.1]pentanyl)-5-[2-[(2-methoxypyrimidin-4-yl)amino]-4-pyridinyl]-N-methylpyridine-3-carboxamide;2,4-difluoro-N-[2-methoxy-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;1-(2,4-difluorophenyl)-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]ethanone;N-[2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[4-[5-(dimethylsulfamoylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide.

What is the SMILES notation for azetidin-1-yl-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]methanone;N-(1-bicyclo[1.1.1]pentanyl)-5-[2-[(2-methoxypyrimidin-4-yl)amino]-4-pyridinyl]-N-methylpyridine-3-carboxamide;2,4-difluoro-N-[2-methoxy-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;1-(2,4-difluorophenyl)-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]ethanone;N-[2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[4-[5-(dimethylsulfamoylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide?

The canonical SMILES for azetidin-1-yl-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]methanone;N-(1-bicyclo[1.1.1]pentanyl)-5-[2-[(2-methoxypyrimidin-4-yl)amino]-4-pyridinyl]-N-methylpyridine-3-carboxamide;2,4-difluoro-N-[2-methoxy-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;1-(2,4-difluorophenyl)-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]ethanone;N-[2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[4-[5-(dimethylsulfamoylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide is CC(=O)Cc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccc(F)cc3F)c2C)ccn1.COc1ncc(-c2ccnc(CC(C)=O)c2)c(C)c1NS(=O)(=O)c1ccc(F)cc1F.COc1nccc(Nc2cc(-c3cncc(C(=O)N(C)C45CC(C4)C5)c3)ccn2)n1.Cc1ncc(-c2ccnc(NC(=O)C3CC3(F)F)c2)cc1CS(=O)(=O)N(C)C.Cc1ncc(-c2ccnc(Nc3ccnc(C4CC4)n3)c2)cc1C(=O)N1CCC1.Cc1nccc(Nc2cc(-c3cnc(C)c(CC(=O)c4ccc(F)cc4F)c3)ccn2)n1.

What is the InChIKey of azetidin-1-yl-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]methanone;N-(1-bicyclo[1.1.1]pentanyl)-5-[2-[(2-methoxypyrimidin-4-yl)amino]-4-pyridinyl]-N-methylpyridine-3-carboxamide;2,4-difluoro-N-[2-methoxy-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;1-(2,4-difluorophenyl)-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]ethanone;N-[2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[4-[5-(dimethylsulfamoylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide?

The InChIKey is MXRYCDJTVQVOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5O.C22H22N6O2.C22H22N6O.C21H19F2N3O4S.C21H19F2N3O3S.C18H20F2N4O3S/c1-14-17(10-22(32)20-4-3-19(25)12-21(20)26)9-18(13-29-14)16-5-7-28-24(11-16)31-23-6-8-27-15(2)30-23;1-28(22-9-14(10-22)11-22)20(29)17-7-16(12-23-13-17)15-3-5-24-19(8-15)26-18-4-6-25-21(27-18)30-2;1-14-18(22(29)28-9-2-10-28)11-17(13-25-14)16-5-7-23-20(12-16)26-19-6-8-24-21(27-19)15-3-4-15;1-12(27)8-16-9-14(6-7-24-16)17-11-25-21(30-3)20(13(17)2)26-31(28,29)19-5-4-15(22)10-18(19)23;1-12(27)8-17-9-15(6-7-24-17)18-11-25-14(3)21(13(18)2)26-30(28,29)20-5-4-16(22)10-19(20)23;1-11-14(10-28(26,27)24(2)3)6-13(9-22-11)12-4-5-21-16(7-12)23-17(25)15-8-18(15,19)20/h3-9,11-13H,10H2,1-2H3,(H,27,28,30,31);3-8,12-14H,9-11H2,1-2H3,(H,24,25,26,27);5-8,11-13,15H,2-4,9-10H2,1H3,(H,23,24,26,27);4-7,9-11,26H,8H2,1-3H3;4-7,9-11,26H,8H2,1-3H3;4-7,9,15H,8,10H2,1-3H3,(H,21,23,25).

What are the key properties of azetidin-1-yl-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]methanone;N-(1-bicyclo[1.1.1]pentanyl)-5-[2-[(2-methoxypyrimidin-4-yl)amino]-4-pyridinyl]-N-methylpyridine-3-carboxamide;2,4-difluoro-N-[2-methoxy-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;1-(2,4-difluorophenyl)-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]ethanone;N-[2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[4-[5-(dimethylsulfamoylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide?

azetidin-1-yl-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]methanone;N-(1-bicyclo[1.1.1]pentanyl)-5-[2-[(2-methoxypyrimidin-4-yl)amino]-4-pyridinyl]-N-methylpyridine-3-carboxamide;2,4-difluoro-N-[2-methoxy-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;1-(2,4-difluorophenyl)-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]ethanone;N-[2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[4-[5-(dimethylsulfamoylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide has a molecular weight of 2509.74 g/mol, XLogP of 22.10, 36 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for azetidin-1-yl-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]methanone;N-(1-bicyclo[1.1.1]pentanyl)-5-[2-[(2-methoxypyrimidin-4-yl)amino]-4-pyridinyl]-N-methylpyridine-3-carboxamide;2,4-difluoro-N-[2-methoxy-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;1-(2,4-difluorophenyl)-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]ethanone;N-[2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[4-[5-(dimethylsulfamoylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide is sourced from PubChem (CID 159701701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).