2-amino-N-(1-bicyclo[1.1.1]pentanyl)-N-methyl-5-[2-(pyrimidin-4-ylamino)-4-pyridinyl]pyridine-3-carboxamide;azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;2-[[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]amino]pyrimidine-5-carbonitrile;N,N-diethyl-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;2,4-difluoro-N-[2-methyl-5-[2-[(1-methylpyrazol-3-yl)methyl]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclobutanecarboxamide

C130H120ClF6N33O10S3 — CID 159403493

About 2-amino-N-(1-bicyclo[1.1.1]pentanyl)-N-methyl-5-[2-(pyrimidin-4-ylamino)-4-pyridinyl]pyridine-3-carboxamide;azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;2-[[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]amino]pyrimidine-5-carbonitrile;N,N-diethyl-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;2,4-difluoro-N-[2-methyl-5-[2-[(1-methylpyrazol-3-yl)methyl]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclobutanecarboxamide

2-amino-N-(1-bicyclo[1.1.1]pentanyl)-N-methyl-5-[2-(pyrimidin-4-ylamino)-4-pyridinyl]pyridine-3-carboxamide;azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;2-[[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]amino]pyrimidine-5-carbonitrile;N,N-diethyl-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;2,4-difluoro-N-[2-methyl-5-[2-[(1-methylpyrazol-3-yl)methyl]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclobutanecarboxamide (PubChem CID 159403493) has the molecular formula C130H120ClF6N33O10S3 and a molecular weight of 2550.25 g/mol. Its IUPAC name is 2-amino-N-(1-bicyclo[1.1.1]pentanyl)-N-methyl-5-[2-(pyrimidin-4-ylamino)-4-pyridinyl]pyridine-3-carboxamide;azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;2-[[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]amino]pyrimidine-5-carbonitrile;N,N-diethyl-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;2,4-difluoro-N-[2-methyl-5-[2-[(1-methylpyrazol-3-yl)methyl]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclobutanecarboxamide.

Molecular Properties

• Compound Name: 2-amino-N-(1-bicyclo[1.1.1]pentanyl)-N-methyl-5-[2-(pyrimidin-4-ylamino)-4-pyridinyl]pyridine-3-carboxamide;azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;2-[[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]amino]pyrimidine-5-carbonitrile;N,N-diethyl-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;2,4-difluoro-N-[2-methyl-5-[2-[(1-methylpyrazol-3-yl)methyl]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclobutanecarboxamide
• PubChem CID: 159403493
• Molecular Formula: C130H120ClF6N33O10S3
• Molecular Weight: 2550.25 g/mol
• Exact Mass: 2547.87
• IUPAC Name: 2-amino-N-(1-bicyclo[1.1.1]pentanyl)-N-methyl-5-[2-(pyrimidin-4-ylamino)-4-pyridinyl]pyridine-3-carboxamide;azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;2-[[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]amino]pyrimidine-5-carbonitrile;N,N-diethyl-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;2,4-difluoro-N-[2-methyl-5-[2-[(1-methylpyrazol-3-yl)methyl]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclobutanecarboxamide
• SMILES: CCN(CC)C(=O)c1cc(-c2ccnc(Nc3ccnc(C)n3)c2)cnc1C.CN(C(=O)c1cc(-c2ccnc(Nc3ccncn3)c2)cnc1N)C12CC(C1)C2.Cc1c(-c2ccnc(Nc3ncc(C#N)cn3)c2)cnc(Cl)c1CS(=O)(=O)c1ccc(F)cc1F.Cc1ncc(-c2ccnc(Cc3ccn(C)n3)c2)cc1NS(=O)(=O)c1ccc(F)cc1F.Cc1ncc(-c2ccnc(NC(=O)C3CCC3)c2)cc1CS(=O)(=O)c1ccc(F)cc1F.Cc1nccc(Nc2cc(-c3cnc(C)c(C(=O)N4CCC4)c3)ccn2)n1
• InChI: InChI=1S/C23H15ClF2N6O2S.C23H21F2N3O3S.C22H19F2N5O2S.C21H21N7O.C21H24N6O.C20H20N6O/c1-13-17(15-4-5-28-21(6-15)32-23-30-9-14(8-27)10-31-23)11-29-22(24)18(13)12-35(33,34)20-3-2-16(25)7-19(20)26;1-14-18(13-32(30,31)21-6-5-19(24)11-20(21)25)9-17(12-27-14)16-7-8-26-22(10-16)28-23(29)15-3-2-4-15;1-14-21(28-32(30,31)22-4-3-17(23)11-20(22)24)10-16(13-26-14)15-5-7-25-19(9-15)12-18-6-8-29(2)27-18;1-28(21-8-13(9-21)10-21)20(29)16-6-15(11-25-19(16)22)14-2-5-24-18(7-14)27-17-3-4-23-12-26-17;1-5-27(6-2)21(28)18-11-17(13-24-14(18)3)16-7-9-23-20(12-16)26-19-8-10-22-15(4)25-19;1-13-17(20(27)26-8-3-9-26)10-16(12-23-13)15-4-6-22-19(11-15)25-18-5-7-21-14(2)24-18/h2-7,9-11H,12H2,1H3,(H,28,30,31,32);5-12,15H,2-4,13H2,1H3,(H,26,28,29);3-11,13,28H,12H2,1-2H3;2-7,11-13H,8-10H2,1H3,(H2,22,25)(H,23,24,26,27);7-13H,5-6H2,1-4H3,(H,22,23,25,26);4-7,10-12H,3,8-9H2,1-2H3,(H,21,22,24,25)
• InChIKey: LNQRROZFDPAKPS-UHFFFAOYSA-N
• XLogP: 22.86
• TPSA: 578.03 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 38
• Rotatable Bonds: 33
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2550.25
LogP ≤ 5	22.86
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-bicyclo[1.1.1]pentanyl)-N-methyl-5-[2-(pyrimidin-4-ylamino)-4-pyridinyl]pyridine-3-carboxamide;azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;2-[[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]amino]pyrimidine-5-carbonitrile;N,N-diethyl-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;2,4-difluoro-N-[2-methyl-5-[2-[(1-methylpyrazol-3-yl)methyl]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclobutanecarboxamide?

The IUPAC name of 2-amino-N-(1-bicyclo[1.1.1]pentanyl)-N-methyl-5-[2-(pyrimidin-4-ylamino)-4-pyridinyl]pyridine-3-carboxamide;azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;2-[[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]amino]pyrimidine-5-carbonitrile;N,N-diethyl-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;2,4-difluoro-N-[2-methyl-5-[2-[(1-methylpyrazol-3-yl)methyl]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclobutanecarboxamide (CID 159403493) is 2-amino-N-(1-bicyclo[1.1.1]pentanyl)-N-methyl-5-[2-(pyrimidin-4-ylamino)-4-pyridinyl]pyridine-3-carboxamide;azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;2-[[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]amino]pyrimidine-5-carbonitrile;N,N-diethyl-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;2,4-difluoro-N-[2-methyl-5-[2-[(1-methylpyrazol-3-yl)methyl]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclobutanecarboxamide.

What is the SMILES notation for 2-amino-N-(1-bicyclo[1.1.1]pentanyl)-N-methyl-5-[2-(pyrimidin-4-ylamino)-4-pyridinyl]pyridine-3-carboxamide;azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;2-[[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]amino]pyrimidine-5-carbonitrile;N,N-diethyl-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;2,4-difluoro-N-[2-methyl-5-[2-[(1-methylpyrazol-3-yl)methyl]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclobutanecarboxamide?

The canonical SMILES for 2-amino-N-(1-bicyclo[1.1.1]pentanyl)-N-methyl-5-[2-(pyrimidin-4-ylamino)-4-pyridinyl]pyridine-3-carboxamide;azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;2-[[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]amino]pyrimidine-5-carbonitrile;N,N-diethyl-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;2,4-difluoro-N-[2-methyl-5-[2-[(1-methylpyrazol-3-yl)methyl]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclobutanecarboxamide is CCN(CC)C(=O)c1cc(-c2ccnc(Nc3ccnc(C)n3)c2)cnc1C.CN(C(=O)c1cc(-c2ccnc(Nc3ccncn3)c2)cnc1N)C12CC(C1)C2.Cc1c(-c2ccnc(Nc3ncc(C#N)cn3)c2)cnc(Cl)c1CS(=O)(=O)c1ccc(F)cc1F.Cc1ncc(-c2ccnc(Cc3ccn(C)n3)c2)cc1NS(=O)(=O)c1ccc(F)cc1F.Cc1ncc(-c2ccnc(NC(=O)C3CCC3)c2)cc1CS(=O)(=O)c1ccc(F)cc1F.Cc1nccc(Nc2cc(-c3cnc(C)c(C(=O)N4CCC4)c3)ccn2)n1.

What is the InChIKey of 2-amino-N-(1-bicyclo[1.1.1]pentanyl)-N-methyl-5-[2-(pyrimidin-4-ylamino)-4-pyridinyl]pyridine-3-carboxamide;azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;2-[[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]amino]pyrimidine-5-carbonitrile;N,N-diethyl-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;2,4-difluoro-N-[2-methyl-5-[2-[(1-methylpyrazol-3-yl)methyl]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclobutanecarboxamide?

The InChIKey is LNQRROZFDPAKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF2N6O2S.C23H21F2N3O3S.C22H19F2N5O2S.C21H21N7O.C21H24N6O.C20H20N6O/c1-13-17(15-4-5-28-21(6-15)32-23-30-9-14(8-27)10-31-23)11-29-22(24)18(13)12-35(33,34)20-3-2-16(25)7-19(20)26;1-14-18(13-32(30,31)21-6-5-19(24)11-20(21)25)9-17(12-27-14)16-7-8-26-22(10-16)28-23(29)15-3-2-4-15;1-14-21(28-32(30,31)22-4-3-17(23)11-20(22)24)10-16(13-26-14)15-5-7-25-19(9-15)12-18-6-8-29(2)27-18;1-28(21-8-13(9-21)10-21)20(29)16-6-15(11-25-19(16)22)14-2-5-24-18(7-14)27-17-3-4-23-12-26-17;1-5-27(6-2)21(28)18-11-17(13-24-14(18)3)16-7-9-23-20(12-16)26-19-8-10-22-15(4)25-19;1-13-17(20(27)26-8-3-9-26)10-16(12-23-13)15-4-6-22-19(11-15)25-18-5-7-21-14(2)24-18/h2-7,9-11H,12H2,1H3,(H,28,30,31,32);5-12,15H,2-4,13H2,1H3,(H,26,28,29);3-11,13,28H,12H2,1-2H3;2-7,11-13H,8-10H2,1H3,(H2,22,25)(H,23,24,26,27);7-13H,5-6H2,1-4H3,(H,22,23,25,26);4-7,10-12H,3,8-9H2,1-2H3,(H,21,22,24,25).

What are the key properties of 2-amino-N-(1-bicyclo[1.1.1]pentanyl)-N-methyl-5-[2-(pyrimidin-4-ylamino)-4-pyridinyl]pyridine-3-carboxamide;azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;2-[[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]amino]pyrimidine-5-carbonitrile;N,N-diethyl-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;2,4-difluoro-N-[2-methyl-5-[2-[(1-methylpyrazol-3-yl)methyl]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclobutanecarboxamide?

2-amino-N-(1-bicyclo[1.1.1]pentanyl)-N-methyl-5-[2-(pyrimidin-4-ylamino)-4-pyridinyl]pyridine-3-carboxamide;azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;2-[[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]amino]pyrimidine-5-carbonitrile;N,N-diethyl-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;2,4-difluoro-N-[2-methyl-5-[2-[(1-methylpyrazol-3-yl)methyl]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclobutanecarboxamide has a molecular weight of 2550.25 g/mol, XLogP of 22.86, 33 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-(1-bicyclo[1.1.1]pentanyl)-N-methyl-5-[2-(pyrimidin-4-ylamino)-4-pyridinyl]pyridine-3-carboxamide;azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;2-[[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]amino]pyrimidine-5-carbonitrile;N,N-diethyl-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;2,4-difluoro-N-[2-methyl-5-[2-[(1-methylpyrazol-3-yl)methyl]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclobutanecarboxamide is sourced from PubChem (CID 159403493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).