4-[(Z)-2-cyclopropylethenyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-(2-cyclopropylethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-(2-cyclopropylethynyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one

C102H88F4N26O4 — CID 161309135

About 4-[(Z)-2-cyclopropylethenyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-(2-cyclopropylethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-(2-cyclopropylethynyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one

4-[(Z)-2-cyclopropylethenyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-(2-cyclopropylethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-(2-cyclopropylethynyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 161309135) has the molecular formula C102H88F4N26O4 and a molecular weight of 1818.00 g/mol. Its IUPAC name is 4-[(Z)-2-cyclopropylethenyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-(2-cyclopropylethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-(2-cyclopropylethynyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 4-[(Z)-2-cyclopropylethenyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-(2-cyclopropylethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-(2-cyclopropylethynyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 161309135
• Molecular Formula: C102H88F4N26O4
• Molecular Weight: 1818.00 g/mol
• Exact Mass: 1816.74
• IUPAC Name: 4-[(Z)-2-cyclopropylethenyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-(2-cyclopropylethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-(2-cyclopropylethynyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: CC1(C)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(-c3ccn[nH]3)c21.CC1(C)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(/C=C\C3CC3)c21.CC1(C)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(C#CC3CC3)c21.CC1(C)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(CCC3CC3)c21
• InChI: InChI=1S/C26H25FN6O.C26H23FN6O.C26H21FN6O.C24H19FN8O/c3*1-26(2)20-19(12-11-15-9-10-15)29-23(30-22(20)31-25(26)34)21-17-7-5-13-28-24(17)33(32-21)14-16-6-3-4-8-18(16)27;1-24(2)17-19(16-9-11-27-31-16)28-21(29-20(17)30-23(24)34)18-14-7-5-10-26-22(14)33(32-18)12-13-6-3-4-8-15(13)25/h3-8,13,15H,9-12,14H2,1-2H3,(H,29,30,31,34);3-8,11-13,15H,9-10,14H2,1-2H3,(H,29,30,31,34);3-8,13,15H,9-10,14H2,1-2H3,(H,29,30,31,34);3-11H,12H2,1-2H3,(H,27,31)(H,28,29,30,34)/b;12-11-
• InChIKey: VIQNWRKQFUFQBD-ZKIARGLGSA-N
• XLogP: 17.14
• TPSA: 371.04 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1818.00
LogP ≤ 5	17.14
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-cyclopropylethenyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-(2-cyclopropylethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-(2-cyclopropylethynyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one?

The IUPAC name of 4-[(Z)-2-cyclopropylethenyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-(2-cyclopropylethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-(2-cyclopropylethynyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one (CID 161309135) is 4-[(Z)-2-cyclopropylethenyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-(2-cyclopropylethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-(2-cyclopropylethynyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one.

What is the SMILES notation for 4-[(Z)-2-cyclopropylethenyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-(2-cyclopropylethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-(2-cyclopropylethynyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one?

The canonical SMILES for 4-[(Z)-2-cyclopropylethenyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-(2-cyclopropylethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-(2-cyclopropylethynyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one is CC1(C)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(-c3ccn[nH]3)c21.CC1(C)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(/C=C\C3CC3)c21.CC1(C)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(C#CC3CC3)c21.CC1(C)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(CCC3CC3)c21.

What is the InChIKey of 4-[(Z)-2-cyclopropylethenyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-(2-cyclopropylethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-(2-cyclopropylethynyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one?

The InChIKey is VIQNWRKQFUFQBD-ZKIARGLGSA-N. The full InChI is InChI=1S/C26H25FN6O.C26H23FN6O.C26H21FN6O.C24H19FN8O/c3*1-26(2)20-19(12-11-15-9-10-15)29-23(30-22(20)31-25(26)34)21-17-7-5-13-28-24(17)33(32-21)14-16-6-3-4-8-18(16)27;1-24(2)17-19(16-9-11-27-31-16)28-21(29-20(17)30-23(24)34)18-14-7-5-10-26-22(14)33(32-18)12-13-6-3-4-8-15(13)25/h3-8,13,15H,9-12,14H2,1-2H3,(H,29,30,31,34);3-8,11-13,15H,9-10,14H2,1-2H3,(H,29,30,31,34);3-8,13,15H,9-10,14H2,1-2H3,(H,29,30,31,34);3-11H,12H2,1-2H3,(H,27,31)(H,28,29,30,34)/b;12-11-;;.

What are the key properties of 4-[(Z)-2-cyclopropylethenyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-(2-cyclopropylethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-(2-cyclopropylethynyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one?

4-[(Z)-2-cyclopropylethenyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-(2-cyclopropylethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-(2-cyclopropylethynyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 1818.00 g/mol, XLogP of 17.14, 18 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(Z)-2-cyclopropylethenyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-(2-cyclopropylethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-(2-cyclopropylethynyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 161309135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).