2-(2-ethoxy-3-pyridinyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methoxyethoxy)phenyl]-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

C95H83F3N24O8 — CID 167696373

IUPAC2-(2-ethoxy-3-pyridinyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methoxyethoxy)phenyl]-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
SMILESCC(C)c1ccncc1-c1ncc2c(n1)n(Cc1ccc(-n3cccn3)cc1)c(=O)n2C.CCOc1ncccc1-c1ncc2c(n1)N(Cc1ccc(-n3cccn3)cc1)C(=O)C2.COCCOc1ccccc1-c1ncc2c(n1)N(Cc1ccc(-n3cccn3)cc1)C(=O)C2.O=C1Cc2cnc(-c3cccnc3OCC(F)(F)F)nc2N1Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C25H23N5O3.C24H23N7O.C23H17F3N6O2.C23H20N6O2/c1-32-13-14-33-22-6-3-2-5-21(22)24-26-16-19-15-23(31)29(25(19)28-24)17-18-7-9-20(10-8-18)30-12-4-11-27-30;1-16(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;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/h2-12,16H,13-15,17H2,1H3;4-14,16H,15H2,1-3H3;1-10,12H,11,13-14H2;3-12,14H,2,13,15H2,1H3
InChIKeyXSFCZRDMVTUSDC-UHFFFAOYSA-N
MW1745.86 g/mol
LogP13.96
Rot. Bonds25

About 2-(2-ethoxy-3-pyridinyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methoxyethoxy)phenyl]-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-[2-(2-methoxyethoxy)phenyl]-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 167696373) has the molecular formula C95H83F3N24O8 and a molecular weight of 1745.86 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-[2-(2-methoxyethoxy)phenyl]-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 Name2-(2-ethoxy-3-pyridinyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methoxyethoxy)phenyl]-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 CID167696373
Molecular FormulaC95H83F3N24O8
Molecular Weight1745.86 g/mol
Exact Mass1744.68
IUPAC Name2-(2-ethoxy-3-pyridinyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methoxyethoxy)phenyl]-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
SMILESCC(C)c1ccncc1-c1ncc2c(n1)n(Cc1ccc(-n3cccn3)cc1)c(=O)n2C.CCOc1ncccc1-c1ncc2c(n1)N(Cc1ccc(-n3cccn3)cc1)C(=O)C2.COCCOc1ccccc1-c1ncc2c(n1)N(Cc1ccc(-n3cccn3)cc1)C(=O)C2.O=C1Cc2cnc(-c3cccnc3OCC(F)(F)F)nc2N1Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C25H23N5O3.C24H23N7O.C23H17F3N6O2.C23H20N6O2/c1-32-13-14-33-22-6-3-2-5-21(22)24-26-16-19-15-23(31)29(25(19)28-24)17-18-7-9-20(10-8-18)30-12-4-11-27-30;1-16(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;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/h2-12,16H,13-15,17H2,1H3;4-14,16H,15H2,1-3H3;1-10,12H,11,13-14H2;3-12,14H,2,13,15H2,1H3
InChIKeyXSFCZRDMVTUSDC-UHFFFAOYSA-N
XLogP13.96
TPSA337.85 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds25
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001745.86
LogP ≤ 513.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 2-(2-ethoxy-3-pyridinyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methoxyethoxy)phenyl]-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 with MolForge

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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-[2-(2-methoxyethoxy)phenyl]-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-[2-(2-methoxyethoxy)phenyl]-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 167696373) is 2-(2-ethoxy-3-pyridinyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methoxyethoxy)phenyl]-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-[2-(2-methoxyethoxy)phenyl]-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-[2-(2-methoxyethoxy)phenyl]-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.COCCOc1ccccc1-c1ncc2c(n1)N(Cc1ccc(-n3cccn3)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-[2-(2-methoxyethoxy)phenyl]-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 XSFCZRDMVTUSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3.C24H23N7O.C23H17F3N6O2.C23H20N6O2/c1-32-13-14-33-22-6-3-2-5-21(22)24-26-16-19-15-23(31)29(25(19)28-24)17-18-7-9-20(10-8-18)30-12-4-11-27-30;1-16(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;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/h2-12,16H,13-15,17H2,1H3;4-14,16H,15H2,1-3H3;1-10,12H,11,13-14H2;3-12,14H,2,13,15H2,1H3.
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-[2-(2-methoxyethoxy)phenyl]-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-[2-(2-methoxyethoxy)phenyl]-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 1745.86 g/mol, XLogP of 13.96, 25 rotatable bonds, 0 hydrogen bond donors, and 29 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-[2-(2-methoxyethoxy)phenyl]-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 167696373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).