2-amino-N-(1-bicyclo[1.1.1]pentanyl)-5-[2-[(2-methoxypyrimidin-4-yl)amino]-4-pyridinyl]-N-methylpyridine-3-carboxamide;4-(5-amino-3-pyridinyl)pyridin-2-amine;azetidin-1-yl-[2-chloro-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;1-[5-[2-[(5-cyano-6-methyl-2-pyridinyl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-N,N-dimethylmethanesulfonamide;6-[[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]amino]pyridine-3-carbonitrile

C96H89ClF2N28O7S2 — CID 159220670

About 2-amino-N-(1-bicyclo[1.1.1]pentanyl)-5-[2-[(2-methoxypyrimidin-4-yl)amino]-4-pyridinyl]-N-methylpyridine-3-carboxamide;4-(5-amino-3-pyridinyl)pyridin-2-amine;azetidin-1-yl-[2-chloro-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;1-[5-[2-[(5-cyano-6-methyl-2-pyridinyl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-N,N-dimethylmethanesulfonamide;6-[[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]amino]pyridine-3-carbonitrile

2-amino-N-(1-bicyclo[1.1.1]pentanyl)-5-[2-[(2-methoxypyrimidin-4-yl)amino]-4-pyridinyl]-N-methylpyridine-3-carboxamide;4-(5-amino-3-pyridinyl)pyridin-2-amine;azetidin-1-yl-[2-chloro-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;1-[5-[2-[(5-cyano-6-methyl-2-pyridinyl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-N,N-dimethylmethanesulfonamide;6-[[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]amino]pyridine-3-carbonitrile (PubChem CID 159220670) has the molecular formula C96H89ClF2N28O7S2 and a molecular weight of 1884.54 g/mol. Its IUPAC name is 2-amino-N-(1-bicyclo[1.1.1]pentanyl)-5-[2-[(2-methoxypyrimidin-4-yl)amino]-4-pyridinyl]-N-methylpyridine-3-carboxamide;4-(5-amino-3-pyridinyl)pyridin-2-amine;azetidin-1-yl-[2-chloro-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;1-[5-[2-[(5-cyano-6-methyl-2-pyridinyl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-N,N-dimethylmethanesulfonamide;6-[[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]amino]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 2-amino-N-(1-bicyclo[1.1.1]pentanyl)-5-[2-[(2-methoxypyrimidin-4-yl)amino]-4-pyridinyl]-N-methylpyridine-3-carboxamide;4-(5-amino-3-pyridinyl)pyridin-2-amine;azetidin-1-yl-[2-chloro-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;1-[5-[2-[(5-cyano-6-methyl-2-pyridinyl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-N,N-dimethylmethanesulfonamide;6-[[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]amino]pyridine-3-carbonitrile
• PubChem CID: 159220670
• Molecular Formula: C96H89ClF2N28O7S2
• Molecular Weight: 1884.54 g/mol
• Exact Mass: 1882.66
• IUPAC Name: 2-amino-N-(1-bicyclo[1.1.1]pentanyl)-5-[2-[(2-methoxypyrimidin-4-yl)amino]-4-pyridinyl]-N-methylpyridine-3-carboxamide;4-(5-amino-3-pyridinyl)pyridin-2-amine;azetidin-1-yl-[2-chloro-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;1-[5-[2-[(5-cyano-6-methyl-2-pyridinyl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-N,N-dimethylmethanesulfonamide;6-[[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]amino]pyridine-3-carbonitrile
• SMILES: COc1nccc(Nc2cc(-c3cnc(N)c(C(=O)N(C)C45CC(C4)C5)c3)ccn2)n1.Cc1nc(Nc2cc(-c3cnc(C)c(CS(=O)(=O)N(C)C)c3)ccn2)ccc1C#N.Cc1ncc(-c2ccnc(Nc3ccc(C#N)cn3)c2)cc1CS(=O)(=O)c1ccc(F)cc1F.Cc1nccc(Nc2cc(-c3cnc(Cl)c(C(=O)N4CCC4)c3)ccn2)n1.Nc1cncc(-c2ccnc(N)c2)c1
• InChI: InChI=1S/C24H17F2N5O2S.C22H23N7O2.C21H22N6O2S.C19H17ClN6O.C10H10N4/c1-15-19(14-34(32,33)22-4-3-20(25)10-21(22)26)8-18(13-29-15)17-6-7-28-24(9-17)31-23-5-2-16(11-27)12-30-23;1-29(22-9-13(10-22)11-22)20(30)16-7-15(12-26-19(16)23)14-3-5-24-18(8-14)27-17-4-6-25-21(28-17)31-2;1-14-19(13-30(28,29)27(3)4)9-18(12-24-14)16-7-8-23-21(10-16)26-20-6-5-17(11-22)15(2)25-20;1-12-21-6-4-16(24-12)25-17-10-13(3-5-22-17)14-9-15(18(20)23-11-14)19(27)26-7-2-8-26;11-9-3-8(5-13-6-9)7-1-2-14-10(12)4-7/h2-10,12-13H,14H2,1H3,(H,28,30,31);3-8,12-13H,9-11H2,1-2H3,(H2,23,26)(H,24,25,27,28);5-10,12H,13H2,1-4H3,(H,23,25,26);3-6,9-11H,2,7-8H2,1H3,(H,21,22,24,25);1-6H,11H2,(H2,12,14)
• InChIKey: KRQHLBIOYWAIJW-UHFFFAOYSA-N
• XLogP: 15.56
• TPSA: 501.37 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 23
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1884.54
LogP ≤ 5	15.56
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

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)-5-[2-[(2-methoxypyrimidin-4-yl)amino]-4-pyridinyl]-N-methylpyridine-3-carboxamide;4-(5-amino-3-pyridinyl)pyridin-2-amine;azetidin-1-yl-[2-chloro-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;1-[5-[2-[(5-cyano-6-methyl-2-pyridinyl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-N,N-dimethylmethanesulfonamide;6-[[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]amino]pyridine-3-carbonitrile?

The IUPAC name of 2-amino-N-(1-bicyclo[1.1.1]pentanyl)-5-[2-[(2-methoxypyrimidin-4-yl)amino]-4-pyridinyl]-N-methylpyridine-3-carboxamide;4-(5-amino-3-pyridinyl)pyridin-2-amine;azetidin-1-yl-[2-chloro-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;1-[5-[2-[(5-cyano-6-methyl-2-pyridinyl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-N,N-dimethylmethanesulfonamide;6-[[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]amino]pyridine-3-carbonitrile (CID 159220670) is 2-amino-N-(1-bicyclo[1.1.1]pentanyl)-5-[2-[(2-methoxypyrimidin-4-yl)amino]-4-pyridinyl]-N-methylpyridine-3-carboxamide;4-(5-amino-3-pyridinyl)pyridin-2-amine;azetidin-1-yl-[2-chloro-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;1-[5-[2-[(5-cyano-6-methyl-2-pyridinyl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-N,N-dimethylmethanesulfonamide;6-[[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]amino]pyridine-3-carbonitrile.

What is the SMILES notation for 2-amino-N-(1-bicyclo[1.1.1]pentanyl)-5-[2-[(2-methoxypyrimidin-4-yl)amino]-4-pyridinyl]-N-methylpyridine-3-carboxamide;4-(5-amino-3-pyridinyl)pyridin-2-amine;azetidin-1-yl-[2-chloro-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;1-[5-[2-[(5-cyano-6-methyl-2-pyridinyl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-N,N-dimethylmethanesulfonamide;6-[[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]amino]pyridine-3-carbonitrile?

The canonical SMILES for 2-amino-N-(1-bicyclo[1.1.1]pentanyl)-5-[2-[(2-methoxypyrimidin-4-yl)amino]-4-pyridinyl]-N-methylpyridine-3-carboxamide;4-(5-amino-3-pyridinyl)pyridin-2-amine;azetidin-1-yl-[2-chloro-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;1-[5-[2-[(5-cyano-6-methyl-2-pyridinyl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-N,N-dimethylmethanesulfonamide;6-[[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]amino]pyridine-3-carbonitrile is COc1nccc(Nc2cc(-c3cnc(N)c(C(=O)N(C)C45CC(C4)C5)c3)ccn2)n1.Cc1nc(Nc2cc(-c3cnc(C)c(CS(=O)(=O)N(C)C)c3)ccn2)ccc1C#N.Cc1ncc(-c2ccnc(Nc3ccc(C#N)cn3)c2)cc1CS(=O)(=O)c1ccc(F)cc1F.Cc1nccc(Nc2cc(-c3cnc(Cl)c(C(=O)N4CCC4)c3)ccn2)n1.Nc1cncc(-c2ccnc(N)c2)c1.

What is the InChIKey of 2-amino-N-(1-bicyclo[1.1.1]pentanyl)-5-[2-[(2-methoxypyrimidin-4-yl)amino]-4-pyridinyl]-N-methylpyridine-3-carboxamide;4-(5-amino-3-pyridinyl)pyridin-2-amine;azetidin-1-yl-[2-chloro-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;1-[5-[2-[(5-cyano-6-methyl-2-pyridinyl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-N,N-dimethylmethanesulfonamide;6-[[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]amino]pyridine-3-carbonitrile?

The InChIKey is KRQHLBIOYWAIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N5O2S.C22H23N7O2.C21H22N6O2S.C19H17ClN6O.C10H10N4/c1-15-19(14-34(32,33)22-4-3-20(25)10-21(22)26)8-18(13-29-15)17-6-7-28-24(9-17)31-23-5-2-16(11-27)12-30-23;1-29(22-9-13(10-22)11-22)20(30)16-7-15(12-26-19(16)23)14-3-5-24-18(8-14)27-17-4-6-25-21(28-17)31-2;1-14-19(13-30(28,29)27(3)4)9-18(12-24-14)16-7-8-23-21(10-16)26-20-6-5-17(11-22)15(2)25-20;1-12-21-6-4-16(24-12)25-17-10-13(3-5-22-17)14-9-15(18(20)23-11-14)19(27)26-7-2-8-26;11-9-3-8(5-13-6-9)7-1-2-14-10(12)4-7/h2-10,12-13H,14H2,1H3,(H,28,30,31);3-8,12-13H,9-11H2,1-2H3,(H2,23,26)(H,24,25,27,28);5-10,12H,13H2,1-4H3,(H,23,25,26);3-6,9-11H,2,7-8H2,1H3,(H,21,22,24,25);1-6H,11H2,(H2,12,14).

What are the key properties of 2-amino-N-(1-bicyclo[1.1.1]pentanyl)-5-[2-[(2-methoxypyrimidin-4-yl)amino]-4-pyridinyl]-N-methylpyridine-3-carboxamide;4-(5-amino-3-pyridinyl)pyridin-2-amine;azetidin-1-yl-[2-chloro-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;1-[5-[2-[(5-cyano-6-methyl-2-pyridinyl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-N,N-dimethylmethanesulfonamide;6-[[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]amino]pyridine-3-carbonitrile?

2-amino-N-(1-bicyclo[1.1.1]pentanyl)-5-[2-[(2-methoxypyrimidin-4-yl)amino]-4-pyridinyl]-N-methylpyridine-3-carboxamide;4-(5-amino-3-pyridinyl)pyridin-2-amine;azetidin-1-yl-[2-chloro-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;1-[5-[2-[(5-cyano-6-methyl-2-pyridinyl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-N,N-dimethylmethanesulfonamide;6-[[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]amino]pyridine-3-carbonitrile has a molecular weight of 1884.54 g/mol, XLogP of 15.56, 23 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-(1-bicyclo[1.1.1]pentanyl)-5-[2-[(2-methoxypyrimidin-4-yl)amino]-4-pyridinyl]-N-methylpyridine-3-carboxamide;4-(5-amino-3-pyridinyl)pyridin-2-amine;azetidin-1-yl-[2-chloro-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;1-[5-[2-[(5-cyano-6-methyl-2-pyridinyl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-N,N-dimethylmethanesulfonamide;6-[[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 159220670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).