7-[[4-[4-(2-aminopropan-2-yl)triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-[(dimethylamino)methyl]triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-[3-(trifluoromethyl)azetidin-1-yl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-phenyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

C111H105F6N27O4 — CID 159977076

About 7-[[4-[4-(2-aminopropan-2-yl)triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-[(dimethylamino)methyl]triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-[3-(trifluoromethyl)azetidin-1-yl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-phenyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

7-[[4-[4-(2-aminopropan-2-yl)triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-[(dimethylamino)methyl]triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-[3-(trifluoromethyl)azetidin-1-yl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-phenyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 159977076) has the molecular formula C111H105F6N27O4 and a molecular weight of 1995.23 g/mol. Its IUPAC name is 7-[[4-[4-(2-aminopropan-2-yl)triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-[(dimethylamino)methyl]triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-[3-(trifluoromethyl)azetidin-1-yl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-phenyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 7-[[4-[4-(2-aminopropan-2-yl)triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-[(dimethylamino)methyl]triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-[3-(trifluoromethyl)azetidin-1-yl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-phenyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 159977076
• Molecular Formula: C111H105F6N27O4
• Molecular Weight: 1995.23 g/mol
• Exact Mass: 1993.87
• IUPAC Name: 7-[[4-[4-(2-aminopropan-2-yl)triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-[(dimethylamino)methyl]triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-[3-(trifluoromethyl)azetidin-1-yl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-phenyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-n3cc(-c4ccccc4)nn3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-n3cc(C(C)(C)N)nn3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-n3cc(CN(C)C)nn3)cc1)C(=O)C2.Cn1cc(C(F)(F)F)nc1-c1ccc(CN2C(=O)Cc3cnc(-c4cccnc4N4CC(C(F)(F)F)C4)nc32)cc1
• InChI: InChI=1S/C30H26N6O.C27H21F6N7O.2C27H29N7O/c1-20(2)25-10-6-7-11-26(25)29-31-17-23-16-28(37)35(30(23)32-29)18-21-12-14-24(15-13-21)36-19-27(33-34-36)22-8-4-3-5-9-22;1-38-14-20(27(31,32)33)36-23(38)16-6-4-15(5-7-16)11-40-21(41)9-17-10-35-22(37-24(17)40)19-3-2-8-34-25(19)39-12-18(13-39)26(28,29)30;1-18(2)23-7-5-6-8-24(23)26-28-14-20-13-25(35)33(27(20)29-26)15-19-9-11-22(12-10-19)34-17-21(30-31-34)16-32(3)4;1-17(2)21-7-5-6-8-22(21)25-29-14-19-13-24(35)33(26(19)30-25)15-18-9-11-20(12-10-18)34-16-23(31-32-34)27(3,4)28/h3-15,17,19-20H,16,18H2,1-2H3;2-8,10,14,18H,9,11-13H2,1H3;5-12,14,17-18H,13,15-16H2,1-4H3;5-12,14,16-17H,13,15,28H2,1-4H3
• InChIKey: OFHGJTVIQWLSJZ-UHFFFAOYSA-N
• XLogP: 18.78
• TPSA: 339.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 27
• Rotatable Bonds: 24
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1995.23
LogP ≤ 5	18.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[4-(2-aminopropan-2-yl)triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-[(dimethylamino)methyl]triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-[3-(trifluoromethyl)azetidin-1-yl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-phenyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The IUPAC name of 7-[[4-[4-(2-aminopropan-2-yl)triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-[(dimethylamino)methyl]triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-[3-(trifluoromethyl)azetidin-1-yl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-phenyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 159977076) is 7-[[4-[4-(2-aminopropan-2-yl)triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-[(dimethylamino)methyl]triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-[3-(trifluoromethyl)azetidin-1-yl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-phenyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.

What is the SMILES notation for 7-[[4-[4-(2-aminopropan-2-yl)triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-[(dimethylamino)methyl]triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-[3-(trifluoromethyl)azetidin-1-yl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-phenyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The canonical SMILES for 7-[[4-[4-(2-aminopropan-2-yl)triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-[(dimethylamino)methyl]triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-[3-(trifluoromethyl)azetidin-1-yl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-phenyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-n3cc(-c4ccccc4)nn3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-n3cc(C(C)(C)N)nn3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-n3cc(CN(C)C)nn3)cc1)C(=O)C2.Cn1cc(C(F)(F)F)nc1-c1ccc(CN2C(=O)Cc3cnc(-c4cccnc4N4CC(C(F)(F)F)C4)nc32)cc1.

What is the InChIKey of 7-[[4-[4-(2-aminopropan-2-yl)triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-[(dimethylamino)methyl]triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-[3-(trifluoromethyl)azetidin-1-yl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-phenyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The InChIKey is OFHGJTVIQWLSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N6O.C27H21F6N7O.2C27H29N7O/c1-20(2)25-10-6-7-11-26(25)29-31-17-23-16-28(37)35(30(23)32-29)18-21-12-14-24(15-13-21)36-19-27(33-34-36)22-8-4-3-5-9-22;1-38-14-20(27(31,32)33)36-23(38)16-6-4-15(5-7-16)11-40-21(41)9-17-10-35-22(37-24(17)40)19-3-2-8-34-25(19)39-12-18(13-39)26(28,29)30;1-18(2)23-7-5-6-8-24(23)26-28-14-20-13-25(35)33(27(20)29-26)15-19-9-11-22(12-10-19)34-17-21(30-31-34)16-32(3)4;1-17(2)21-7-5-6-8-22(21)25-29-14-19-13-24(35)33(26(19)30-25)15-18-9-11-20(12-10-18)34-16-23(31-32-34)27(3,4)28/h3-15,17,19-20H,16,18H2,1-2H3;2-8,10,14,18H,9,11-13H2,1H3;5-12,14,17-18H,13,15-16H2,1-4H3;5-12,14,16-17H,13,15,28H2,1-4H3.

What are the key properties of 7-[[4-[4-(2-aminopropan-2-yl)triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-[(dimethylamino)methyl]triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-[3-(trifluoromethyl)azetidin-1-yl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-phenyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

7-[[4-[4-(2-aminopropan-2-yl)triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-[(dimethylamino)methyl]triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-[3-(trifluoromethyl)azetidin-1-yl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-phenyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 1995.23 g/mol, XLogP of 18.78, 24 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[4-[4-(2-aminopropan-2-yl)triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-[(dimethylamino)methyl]triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-[3-(trifluoromethyl)azetidin-1-yl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-phenyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 159977076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).