7-[[4-[3-(1,1-difluoroethyl)-5-methylpyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methylpropoxy)-3-pyridinyl]-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-yl-3-pyridinyl)-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

C122H112F4N32O7 — CID 157288069

About 7-[[4-[3-(1,1-difluoroethyl)-5-methylpyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methylpropoxy)-3-pyridinyl]-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-yl-3-pyridinyl)-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

7-[[4-[3-(1,1-difluoroethyl)-5-methylpyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methylpropoxy)-3-pyridinyl]-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-yl-3-pyridinyl)-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 157288069) has the molecular formula C122H112F4N32O7 and a molecular weight of 2214.45 g/mol. Its IUPAC name is 7-[[4-[3-(1,1-difluoroethyl)-5-methylpyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methylpropoxy)-3-pyridinyl]-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-yl-3-pyridinyl)-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 7-[[4-[3-(1,1-difluoroethyl)-5-methylpyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methylpropoxy)-3-pyridinyl]-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-yl-3-pyridinyl)-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 157288069
• Molecular Formula: C122H112F4N32O7
• Molecular Weight: 2214.45 g/mol
• Exact Mass: 2212.93
• IUPAC Name: 7-[[4-[3-(1,1-difluoroethyl)-5-methylpyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methylpropoxy)-3-pyridinyl]-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-yl-3-pyridinyl)-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: CC(C)COc1ncccc1-c1ncc2c(n1)N(Cc1ccc(-n3nccn3)cc1)C(=O)C2.CC(C)c1ncccc1-c1ncc2c(n1)N(Cc1ccc(-n3nccn3)cc1)C(=O)C2.Cc1cc(C(C)(F)F)nn1-c1ccc(CN2C(=O)Cc3cnc(-c4cccnc4C(C)C)nc32)cc1.Cc1cc(C)n(-c2ccc(CN3C(=O)Cc4cnc(-c5ccccc5C(C)C)nc43)cc2)n1.O=C1Cc2cnc(-c3cccnc3OC(F)F)nc2N1Cc1ccc(-n2nccn2)cc1
• InChI: InChI=1S/C27H26F2N6O.C27H27N5O.C24H23N7O2.C23H21N7O.C21H15F2N7O2/c1-16(2)24-21(6-5-11-30-24)25-31-14-19-13-23(36)34(26(19)32-25)15-18-7-9-20(10-8-18)35-17(3)12-22(33-35)27(4,28)29;1-17(2)23-7-5-6-8-24(23)26-28-15-21-14-25(33)31(27(21)29-26)16-20-9-11-22(12-10-20)32-19(4)13-18(3)30-32;1-16(2)15-33-24-20(4-3-9-25-24)22-26-13-18-12-21(32)30(23(18)29-22)14-17-5-7-19(8-6-17)31-27-10-11-28-31;1-15(2)21-19(4-3-9-24-21)22-25-13-17-12-20(31)29(23(17)28-22)14-16-5-7-18(8-6-16)30-26-10-11-27-30;22-21(23)32-20-16(2-1-7-24-20)18-25-11-14-10-17(31)29(19(14)28-18)12-13-3-5-15(6-4-13)30-26-8-9-27-30/h5-12,14,16H,13,15H2,1-4H3;5-13,15,17H,14,16H2,1-4H3;3-11,13,16H,12,14-15H2,1-2H3;3-11,13,15H,12,14H2,1-2H3;1-9,11,21H,10,12H2
• InChIKey: BAMACAZSUIAFDN-UHFFFAOYSA-N
• XLogP: 19.90
• TPSA: 428.24 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 29
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2214.45
LogP ≤ 5	19.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[3-(1,1-difluoroethyl)-5-methylpyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methylpropoxy)-3-pyridinyl]-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-yl-3-pyridinyl)-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The IUPAC name of 7-[[4-[3-(1,1-difluoroethyl)-5-methylpyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methylpropoxy)-3-pyridinyl]-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-yl-3-pyridinyl)-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 157288069) is 7-[[4-[3-(1,1-difluoroethyl)-5-methylpyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methylpropoxy)-3-pyridinyl]-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-yl-3-pyridinyl)-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

What is the SMILES notation for 7-[[4-[3-(1,1-difluoroethyl)-5-methylpyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methylpropoxy)-3-pyridinyl]-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-yl-3-pyridinyl)-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The canonical SMILES for 7-[[4-[3-(1,1-difluoroethyl)-5-methylpyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methylpropoxy)-3-pyridinyl]-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-yl-3-pyridinyl)-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is CC(C)COc1ncccc1-c1ncc2c(n1)N(Cc1ccc(-n3nccn3)cc1)C(=O)C2.CC(C)c1ncccc1-c1ncc2c(n1)N(Cc1ccc(-n3nccn3)cc1)C(=O)C2.Cc1cc(C(C)(F)F)nn1-c1ccc(CN2C(=O)Cc3cnc(-c4cccnc4C(C)C)nc32)cc1.Cc1cc(C)n(-c2ccc(CN3C(=O)Cc4cnc(-c5ccccc5C(C)C)nc43)cc2)n1.O=C1Cc2cnc(-c3cccnc3OC(F)F)nc2N1Cc1ccc(-n2nccn2)cc1.

What is the InChIKey of 7-[[4-[3-(1,1-difluoroethyl)-5-methylpyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methylpropoxy)-3-pyridinyl]-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-yl-3-pyridinyl)-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The InChIKey is BAMACAZSUIAFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N6O.C27H27N5O.C24H23N7O2.C23H21N7O.C21H15F2N7O2/c1-16(2)24-21(6-5-11-30-24)25-31-14-19-13-23(36)34(26(19)32-25)15-18-7-9-20(10-8-18)35-17(3)12-22(33-35)27(4,28)29;1-17(2)23-7-5-6-8-24(23)26-28-15-21-14-25(33)31(27(21)29-26)16-20-9-11-22(12-10-20)32-19(4)13-18(3)30-32;1-16(2)15-33-24-20(4-3-9-25-24)22-26-13-18-12-21(32)30(23(18)29-22)14-17-5-7-19(8-6-17)31-27-10-11-28-31;1-15(2)21-19(4-3-9-24-21)22-25-13-17-12-20(31)29(23(17)28-22)14-16-5-7-18(8-6-16)30-26-10-11-27-30;22-21(23)32-20-16(2-1-7-24-20)18-25-11-14-10-17(31)29(19(14)28-18)12-13-3-5-15(6-4-13)30-26-8-9-27-30/h5-12,14,16H,13,15H2,1-4H3;5-13,15,17H,14,16H2,1-4H3;3-11,13,16H,12,14-15H2,1-2H3;3-11,13,15H,12,14H2,1-2H3;1-9,11,21H,10,12H2.

What are the key properties of 7-[[4-[3-(1,1-difluoroethyl)-5-methylpyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methylpropoxy)-3-pyridinyl]-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-yl-3-pyridinyl)-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

7-[[4-[3-(1,1-difluoroethyl)-5-methylpyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methylpropoxy)-3-pyridinyl]-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-yl-3-pyridinyl)-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 2214.45 g/mol, XLogP of 19.90, 29 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[4-[3-(1,1-difluoroethyl)-5-methylpyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methylpropoxy)-3-pyridinyl]-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-yl-3-pyridinyl)-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 157288069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).