2-(2-ethoxy-3-pyridinyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-methoxyphenyl)-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methoxyethoxy)-3-pyridinyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-2-(4-propan-2-yl-3-pyridinyl)-9-[(4-pyrazol-1-ylphenyl)methyl]purin-8-one;7-[(4-pyrazol-1-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

C116H99F4N31O10 — CID 160631625

About 2-(2-ethoxy-3-pyridinyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-methoxyphenyl)-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methoxyethoxy)-3-pyridinyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-2-(4-propan-2-yl-3-pyridinyl)-9-[(4-pyrazol-1-ylphenyl)methyl]purin-8-one;7-[(4-pyrazol-1-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

2-(2-ethoxy-3-pyridinyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-methoxyphenyl)-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methoxyethoxy)-3-pyridinyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-2-(4-propan-2-yl-3-pyridinyl)-9-[(4-pyrazol-1-ylphenyl)methyl]purin-8-one;7-[(4-pyrazol-1-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 160631625) has the molecular formula C116H99F4N31O10 and a molecular weight of 2163.27 g/mol. Its IUPAC name is 2-(2-ethoxy-3-pyridinyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-methoxyphenyl)-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methoxyethoxy)-3-pyridinyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-2-(4-propan-2-yl-3-pyridinyl)-9-[(4-pyrazol-1-ylphenyl)methyl]purin-8-one;7-[(4-pyrazol-1-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 2-(2-ethoxy-3-pyridinyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-methoxyphenyl)-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methoxyethoxy)-3-pyridinyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-2-(4-propan-2-yl-3-pyridinyl)-9-[(4-pyrazol-1-ylphenyl)methyl]purin-8-one;7-[(4-pyrazol-1-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 160631625
• Molecular Formula: C116H99F4N31O10
• Molecular Weight: 2163.27 g/mol
• Exact Mass: 2161.81
• IUPAC Name: 2-(2-ethoxy-3-pyridinyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-methoxyphenyl)-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methoxyethoxy)-3-pyridinyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-2-(4-propan-2-yl-3-pyridinyl)-9-[(4-pyrazol-1-ylphenyl)methyl]purin-8-one;7-[(4-pyrazol-1-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: CC(C)c1ccncc1-c1ncc2c(n1)n(Cc1ccc(-n3cccn3)cc1)c(=O)n2C.CCOc1ncccc1-c1ncc2c(n1)N(Cc1ccc(-n3cccn3)cc1)C(=O)C2.COCCOc1ncccc1-c1ncc2c(n1)N(Cc1ccc(-n3cccn3)cc1)C(=O)C2.COc1c(F)cccc1-c1ncc2c(n1)N(Cc1ccc(-n3nccn3)cc1)C(=O)C2.O=C1Cc2cnc(-c3cccnc3OCC(F)(F)F)nc2N1Cc1ccc(-n2cccn2)cc1
• InChI: InChI=1S/C24H23N7O.C24H22N6O3.C23H17F3N6O2.C23H20N6O2.C22H17FN6O2/c1-16(2)19-9-11-25-13-20(19)22-26-14-21-23(28-22)30(24(32)29(21)3)15-17-5-7-18(8-6-17)31-12-4-10-27-31;1-32-12-13-33-24-20(4-2-9-25-24)22-26-15-18-14-21(31)29(23(18)28-22)16-17-5-7-19(8-6-17)30-11-3-10-27-30;24-23(25,26)14-34-22-18(3-1-8-27-22)20-28-12-16-11-19(33)31(21(16)30-20)13-15-4-6-17(7-5-15)32-10-2-9-29-32;1-2-31-23-19(5-3-10-24-23)21-25-14-17-13-20(30)28(22(17)27-21)15-16-6-8-18(9-7-16)29-12-4-11-26-29;1-31-20-17(3-2-4-18(20)23)21-24-12-15-11-19(30)28(22(15)27-21)13-14-5-7-16(8-6-14)29-25-9-10-26-29/h4-14,16H,15H2,1-3H3;2-11,15H,12-14,16H2,1H3;1-10,12H,11,13-14H2;3-12,14H,2,13,15H2,1H3;2-10,12H,11,13H2,1H3
• InChIKey: RHZMABJCMNUVKZ-UHFFFAOYSA-N
• XLogP: 16.32
• TPSA: 436.77 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 30
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2163.27
LogP ≤ 5	16.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-3-pyridinyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-methoxyphenyl)-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methoxyethoxy)-3-pyridinyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-2-(4-propan-2-yl-3-pyridinyl)-9-[(4-pyrazol-1-ylphenyl)methyl]purin-8-one;7-[(4-pyrazol-1-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The IUPAC name of 2-(2-ethoxy-3-pyridinyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-methoxyphenyl)-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methoxyethoxy)-3-pyridinyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-2-(4-propan-2-yl-3-pyridinyl)-9-[(4-pyrazol-1-ylphenyl)methyl]purin-8-one;7-[(4-pyrazol-1-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 160631625) is 2-(2-ethoxy-3-pyridinyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-methoxyphenyl)-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methoxyethoxy)-3-pyridinyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-2-(4-propan-2-yl-3-pyridinyl)-9-[(4-pyrazol-1-ylphenyl)methyl]purin-8-one;7-[(4-pyrazol-1-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

What is the SMILES notation for 2-(2-ethoxy-3-pyridinyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-methoxyphenyl)-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methoxyethoxy)-3-pyridinyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-2-(4-propan-2-yl-3-pyridinyl)-9-[(4-pyrazol-1-ylphenyl)methyl]purin-8-one;7-[(4-pyrazol-1-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The canonical SMILES for 2-(2-ethoxy-3-pyridinyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-methoxyphenyl)-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methoxyethoxy)-3-pyridinyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-2-(4-propan-2-yl-3-pyridinyl)-9-[(4-pyrazol-1-ylphenyl)methyl]purin-8-one;7-[(4-pyrazol-1-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is CC(C)c1ccncc1-c1ncc2c(n1)n(Cc1ccc(-n3cccn3)cc1)c(=O)n2C.CCOc1ncccc1-c1ncc2c(n1)N(Cc1ccc(-n3cccn3)cc1)C(=O)C2.COCCOc1ncccc1-c1ncc2c(n1)N(Cc1ccc(-n3cccn3)cc1)C(=O)C2.COc1c(F)cccc1-c1ncc2c(n1)N(Cc1ccc(-n3nccn3)cc1)C(=O)C2.O=C1Cc2cnc(-c3cccnc3OCC(F)(F)F)nc2N1Cc1ccc(-n2cccn2)cc1.

What is the InChIKey of 2-(2-ethoxy-3-pyridinyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-methoxyphenyl)-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methoxyethoxy)-3-pyridinyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-2-(4-propan-2-yl-3-pyridinyl)-9-[(4-pyrazol-1-ylphenyl)methyl]purin-8-one;7-[(4-pyrazol-1-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The InChIKey is RHZMABJCMNUVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O.C24H22N6O3.C23H17F3N6O2.C23H20N6O2.C22H17FN6O2/c1-16(2)19-9-11-25-13-20(19)22-26-14-21-23(28-22)30(24(32)29(21)3)15-17-5-7-18(8-6-17)31-12-4-10-27-31;1-32-12-13-33-24-20(4-2-9-25-24)22-26-15-18-14-21(31)29(23(18)28-22)16-17-5-7-19(8-6-17)30-11-3-10-27-30;24-23(25,26)14-34-22-18(3-1-8-27-22)20-28-12-16-11-19(33)31(21(16)30-20)13-15-4-6-17(7-5-15)32-10-2-9-29-32;1-2-31-23-19(5-3-10-24-23)21-25-14-17-13-20(30)28(22(17)27-21)15-16-6-8-18(9-7-16)29-12-4-11-26-29;1-31-20-17(3-2-4-18(20)23)21-24-12-15-11-19(30)28(22(15)27-21)13-14-5-7-16(8-6-14)29-25-9-10-26-29/h4-14,16H,15H2,1-3H3;2-11,15H,12-14,16H2,1H3;1-10,12H,11,13-14H2;3-12,14H,2,13,15H2,1H3;2-10,12H,11,13H2,1H3.

What are the key properties of 2-(2-ethoxy-3-pyridinyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-methoxyphenyl)-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methoxyethoxy)-3-pyridinyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-2-(4-propan-2-yl-3-pyridinyl)-9-[(4-pyrazol-1-ylphenyl)methyl]purin-8-one;7-[(4-pyrazol-1-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

2-(2-ethoxy-3-pyridinyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-methoxyphenyl)-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methoxyethoxy)-3-pyridinyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-2-(4-propan-2-yl-3-pyridinyl)-9-[(4-pyrazol-1-ylphenyl)methyl]purin-8-one;7-[(4-pyrazol-1-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 2163.27 g/mol, XLogP of 16.32, 30 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-ethoxy-3-pyridinyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-methoxyphenyl)-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methoxyethoxy)-3-pyridinyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-2-(4-propan-2-yl-3-pyridinyl)-9-[(4-pyrazol-1-ylphenyl)methyl]purin-8-one;7-[(4-pyrazol-1-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 160631625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).