azetidin-1-yl-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]methanone;azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine;2-fluoro-4-methyl-N-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide

C113H104Cl2F4N28O8S3 — CID 159965763

About azetidin-1-yl-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]methanone;azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine;2-fluoro-4-methyl-N-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide

azetidin-1-yl-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]methanone;azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine;2-fluoro-4-methyl-N-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide (PubChem CID 159965763) has the molecular formula C113H104Cl2F4N28O8S3 and a molecular weight of 2225.36 g/mol. Its IUPAC name is azetidin-1-yl-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]methanone;azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine;2-fluoro-4-methyl-N-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

• Compound Name: azetidin-1-yl-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]methanone;azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine;2-fluoro-4-methyl-N-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide
• PubChem CID: 159965763
• Molecular Formula: C113H104Cl2F4N28O8S3
• Molecular Weight: 2225.36 g/mol
• Exact Mass: 2222.71
• IUPAC Name: azetidin-1-yl-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]methanone;azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine;2-fluoro-4-methyl-N-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide
• SMILES: Cc1ccc(S(=O)(=O)Cc2c(Cl)ncc(-c3cc(Nc4ccnc(C)n4)ncc3F)c2C)c(F)c1.Cc1ccc(S(=O)(=O)Cc2c(Cl)ncc(-c3ccnc(Nc4nccc(C)n4)c3)c2C)c(F)c1.Cc1ccc(S(=O)(=O)Nc2cc(-c3ccnc(Nc4ccnc(C)n4)c3)cnc2C)c(F)c1.Cc1ncc(-c2ccnc(Nc3ccnc(C4CC4)n3)c2)cc1C(=O)N1CCC1.Cc1nccc(Nc2cc(-c3cnc(C)c(C(=O)N4CCC4)c3)ccn2)n1
• InChI: InChI=1S/C24H20ClF2N5O2S.C24H21ClFN5O2S.C23H21FN6O2S.C22H22N6O.C20H20N6O/c1-13-4-5-21(19(26)8-13)35(33,34)12-18-14(2)17(10-30-24(18)25)16-9-23(29-11-20(16)27)32-22-6-7-28-15(3)31-22;1-14-4-5-21(20(26)10-14)34(32,33)13-19-16(3)18(12-29-23(19)25)17-7-9-27-22(11-17)31-24-28-8-6-15(2)30-24;1-14-4-5-21(19(24)10-14)33(31,32)30-20-11-18(13-27-15(20)2)17-6-8-26-23(12-17)29-22-7-9-25-16(3)28-22;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;1-13-17(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/h4-11H,12H2,1-3H3,(H,28,29,31,32);4-12H,13H2,1-3H3,(H,27,28,30,31);4-13,30H,1-3H3,(H,25,26,28,29);5-8,11-13,15H,2-4,9-10H2,1H3,(H,23,24,26,27);4-7,10-12H,3,8-9H2,1-2H3,(H,21,22,24,25)
• InChIKey: ODXHGDHWPKQSGY-UHFFFAOYSA-N
• XLogP: 22.27
• TPSA: 473.02 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 27
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2225.36
LogP ≤ 5	22.27
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

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;azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine;2-fluoro-4-methyl-N-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide?

The IUPAC name of azetidin-1-yl-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]methanone;azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine;2-fluoro-4-methyl-N-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide (CID 159965763) is azetidin-1-yl-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]methanone;azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine;2-fluoro-4-methyl-N-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide.

What is the SMILES notation for azetidin-1-yl-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]methanone;azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine;2-fluoro-4-methyl-N-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide?

The canonical SMILES for azetidin-1-yl-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]methanone;azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine;2-fluoro-4-methyl-N-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Cc2c(Cl)ncc(-c3cc(Nc4ccnc(C)n4)ncc3F)c2C)c(F)c1.Cc1ccc(S(=O)(=O)Cc2c(Cl)ncc(-c3ccnc(Nc4nccc(C)n4)c3)c2C)c(F)c1.Cc1ccc(S(=O)(=O)Nc2cc(-c3ccnc(Nc4ccnc(C)n4)c3)cnc2C)c(F)c1.Cc1ncc(-c2ccnc(Nc3ccnc(C4CC4)n3)c2)cc1C(=O)N1CCC1.Cc1nccc(Nc2cc(-c3cnc(C)c(C(=O)N4CCC4)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;azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine;2-fluoro-4-methyl-N-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide?

The InChIKey is ODXHGDHWPKQSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF2N5O2S.C24H21ClFN5O2S.C23H21FN6O2S.C22H22N6O.C20H20N6O/c1-13-4-5-21(19(26)8-13)35(33,34)12-18-14(2)17(10-30-24(18)25)16-9-23(29-11-20(16)27)32-22-6-7-28-15(3)31-22;1-14-4-5-21(20(26)10-14)34(32,33)13-19-16(3)18(12-29-23(19)25)17-7-9-27-22(11-17)31-24-28-8-6-15(2)30-24;1-14-4-5-21(19(24)10-14)33(31,32)30-20-11-18(13-27-15(20)2)17-6-8-26-23(12-17)29-22-7-9-25-16(3)28-22;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;1-13-17(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/h4-11H,12H2,1-3H3,(H,28,29,31,32);4-12H,13H2,1-3H3,(H,27,28,30,31);4-13,30H,1-3H3,(H,25,26,28,29);5-8,11-13,15H,2-4,9-10H2,1H3,(H,23,24,26,27);4-7,10-12H,3,8-9H2,1-2H3,(H,21,22,24,25).

What are the key properties of azetidin-1-yl-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]methanone;azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine;2-fluoro-4-methyl-N-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide?

azetidin-1-yl-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]methanone;azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine;2-fluoro-4-methyl-N-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 2225.36 g/mol, XLogP of 22.27, 27 rotatable bonds, 6 hydrogen bond donors, and 33 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;azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine;2-fluoro-4-methyl-N-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 159965763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).