7-[[4-[3-(azetidin-1-yl)-5-methylpyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(6-fluoro-2-methyl-4-propan-2-yl-3-pyridinyl)-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;2-(5-fluoro-2-propan-2-yl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane

C112H116F12N26O4 — CID 157473575

About 7-[[4-[3-(azetidin-1-yl)-5-methylpyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(6-fluoro-2-methyl-4-propan-2-yl-3-pyridinyl)-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;2-(5-fluoro-2-propan-2-yl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane

7-[[4-[3-(azetidin-1-yl)-5-methylpyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(6-fluoro-2-methyl-4-propan-2-yl-3-pyridinyl)-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;2-(5-fluoro-2-propan-2-yl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane (PubChem CID 157473575) has the molecular formula C112H116F12N26O4 and a molecular weight of 2118.31 g/mol. Its IUPAC name is 7-[[4-[3-(azetidin-1-yl)-5-methylpyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(6-fluoro-2-methyl-4-propan-2-yl-3-pyridinyl)-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;2-(5-fluoro-2-propan-2-yl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane.

Molecular Properties

• Compound Name: 7-[[4-[3-(azetidin-1-yl)-5-methylpyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(6-fluoro-2-methyl-4-propan-2-yl-3-pyridinyl)-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;2-(5-fluoro-2-propan-2-yl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane
• PubChem CID: 157473575
• Molecular Formula: C112H116F12N26O4
• Molecular Weight: 2118.31 g/mol
• Exact Mass: 2116.95
• IUPAC Name: 7-[[4-[3-(azetidin-1-yl)-5-methylpyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(6-fluoro-2-methyl-4-propan-2-yl-3-pyridinyl)-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;2-(5-fluoro-2-propan-2-yl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane
• SMILES: C.C.C.C.CC(C)c1c(F)cccc1-c1ncc2c(n1)n(Cc1ccc(-c3nc(C(F)(F)F)cn3C)cc1)c(=O)n2C.CC(C)c1ncc(F)cc1-c1ncc2c(n1)N(Cc1ccc(-c3nc(C(F)(F)F)cn3C)cc1)C(=O)C2.Cc1cc(N2CCC2)nn1-c1ccc(CN2C(=O)Cc3cnc(-c4cccnc4C(C)C)nc32)cc1.Cc1nc(F)cc(C(C)C)c1-c1ncc2c(n1)n(Cc1ccc(-c3nc(C(F)(F)F)cn3C)cc1)c(=O)n2C
• InChI: InChI=1S/C28H29N7O.C27H25F4N7O.C27H24F4N6O.C26H22F4N6O.4CH4/c1-18(2)26-23(6-4-11-29-26)27-30-16-21-15-25(36)34(28(21)31-27)17-20-7-9-22(10-8-20)35-19(3)14-24(32-35)33-12-5-13-33;1-14(2)18-10-21(28)33-15(3)22(18)23-32-11-19-25(35-23)38(26(39)37(19)5)12-16-6-8-17(9-7-16)24-34-20(13-36(24)4)27(29,30)31;1-15(2)22-18(6-5-7-19(22)28)23-32-12-20-25(34-23)37(26(38)36(20)4)13-16-8-10-17(11-9-16)24-33-21(14-35(24)3)27(29,30)31;1-14(2)22-19(9-18(27)11-31-22)23-32-10-17-8-21(37)36(25(17)34-23)12-15-4-6-16(7-5-15)24-33-20(13-35(24)3)26(28,29)30;;;;/h4,6-11,14,16,18H,5,12-13,15,17H2,1-3H3;6-11,13-14H,12H2,1-5H3;5-12,14-15H,13H2,1-4H3;4-7,9-11,13-14H,8,12H2,1-3H3;4*1H4
• InChIKey: BVHYYCDRPOJXNS-UHFFFAOYSA-N
• XLogP: 23.07
• TPSA: 310.79 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 21
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2118.31
LogP ≤ 5	23.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[3-(azetidin-1-yl)-5-methylpyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(6-fluoro-2-methyl-4-propan-2-yl-3-pyridinyl)-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;2-(5-fluoro-2-propan-2-yl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane?

The IUPAC name of 7-[[4-[3-(azetidin-1-yl)-5-methylpyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(6-fluoro-2-methyl-4-propan-2-yl-3-pyridinyl)-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;2-(5-fluoro-2-propan-2-yl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane (CID 157473575) is 7-[[4-[3-(azetidin-1-yl)-5-methylpyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(6-fluoro-2-methyl-4-propan-2-yl-3-pyridinyl)-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;2-(5-fluoro-2-propan-2-yl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane.

What is the SMILES notation for 7-[[4-[3-(azetidin-1-yl)-5-methylpyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(6-fluoro-2-methyl-4-propan-2-yl-3-pyridinyl)-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;2-(5-fluoro-2-propan-2-yl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane?

The canonical SMILES for 7-[[4-[3-(azetidin-1-yl)-5-methylpyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(6-fluoro-2-methyl-4-propan-2-yl-3-pyridinyl)-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;2-(5-fluoro-2-propan-2-yl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane is C.C.C.C.CC(C)c1c(F)cccc1-c1ncc2c(n1)n(Cc1ccc(-c3nc(C(F)(F)F)cn3C)cc1)c(=O)n2C.CC(C)c1ncc(F)cc1-c1ncc2c(n1)N(Cc1ccc(-c3nc(C(F)(F)F)cn3C)cc1)C(=O)C2.Cc1cc(N2CCC2)nn1-c1ccc(CN2C(=O)Cc3cnc(-c4cccnc4C(C)C)nc32)cc1.Cc1nc(F)cc(C(C)C)c1-c1ncc2c(n1)n(Cc1ccc(-c3nc(C(F)(F)F)cn3C)cc1)c(=O)n2C.

What is the InChIKey of 7-[[4-[3-(azetidin-1-yl)-5-methylpyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(6-fluoro-2-methyl-4-propan-2-yl-3-pyridinyl)-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;2-(5-fluoro-2-propan-2-yl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane?

The InChIKey is BVHYYCDRPOJXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O.C27H25F4N7O.C27H24F4N6O.C26H22F4N6O.4CH4/c1-18(2)26-23(6-4-11-29-26)27-30-16-21-15-25(36)34(28(21)31-27)17-20-7-9-22(10-8-20)35-19(3)14-24(32-35)33-12-5-13-33;1-14(2)18-10-21(28)33-15(3)22(18)23-32-11-19-25(35-23)38(26(39)37(19)5)12-16-6-8-17(9-7-16)24-34-20(13-36(24)4)27(29,30)31;1-15(2)22-18(6-5-7-19(22)28)23-32-12-20-25(34-23)37(26(38)36(20)4)13-16-8-10-17(11-9-16)24-33-21(14-35(24)3)27(29,30)31;1-14(2)22-19(9-18(27)11-31-22)23-32-10-17-8-21(37)36(25(17)34-23)12-15-4-6-16(7-5-15)24-33-20(13-35(24)3)26(28,29)30;;;;/h4,6-11,14,16,18H,5,12-13,15,17H2,1-3H3;6-11,13-14H,12H2,1-5H3;5-12,14-15H,13H2,1-4H3;4-7,9-11,13-14H,8,12H2,1-3H3;4*1H4.

What are the key properties of 7-[[4-[3-(azetidin-1-yl)-5-methylpyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(6-fluoro-2-methyl-4-propan-2-yl-3-pyridinyl)-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;2-(5-fluoro-2-propan-2-yl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane?

7-[[4-[3-(azetidin-1-yl)-5-methylpyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(6-fluoro-2-methyl-4-propan-2-yl-3-pyridinyl)-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;2-(5-fluoro-2-propan-2-yl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane has a molecular weight of 2118.31 g/mol, XLogP of 23.07, 21 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[4-[3-(azetidin-1-yl)-5-methylpyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(6-fluoro-2-methyl-4-propan-2-yl-3-pyridinyl)-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;2-(5-fluoro-2-propan-2-yl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane is sourced from PubChem (CID 157473575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).