7-(cyclopropylmethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;dimethyl 2-(cyclopropylmethyl)-2-methyl-3-oxobutanedioate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-iminoethanamine;methyl 3-cyclopropyl-2-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate

C87H85F4N23O9 — CID 159331856

About 7-(cyclopropylmethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;dimethyl 2-(cyclopropylmethyl)-2-methyl-3-oxobutanedioate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-iminoethanamine;methyl 3-cyclopropyl-2-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate

7-(cyclopropylmethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;dimethyl 2-(cyclopropylmethyl)-2-methyl-3-oxobutanedioate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-iminoethanamine;methyl 3-cyclopropyl-2-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate (PubChem CID 159331856) has the molecular formula C87H85F4N23O9 and a molecular weight of 1672.78 g/mol. Its IUPAC name is 7-(cyclopropylmethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;dimethyl 2-(cyclopropylmethyl)-2-methyl-3-oxobutanedioate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-iminoethanamine;methyl 3-cyclopropyl-2-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate.

Molecular Properties

• Compound Name: 7-(cyclopropylmethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;dimethyl 2-(cyclopropylmethyl)-2-methyl-3-oxobutanedioate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-iminoethanamine;methyl 3-cyclopropyl-2-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate
• PubChem CID: 159331856
• Molecular Formula: C87H85F4N23O9
• Molecular Weight: 1672.78 g/mol
• Exact Mass: 1671.68
• IUPAC Name: 7-(cyclopropylmethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;dimethyl 2-(cyclopropylmethyl)-2-methyl-3-oxobutanedioate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-iminoethanamine;methyl 3-cyclopropyl-2-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate
• SMILES: CC1(CC2CC2)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nnc21.COC(=O)C(=O)C(C)(CC1CC1)C(=O)OC.COC(=O)C(C)(CC1CC1)c1nnc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c1=O.[H]/N=C(\CN)c1nn(Cc2ccccc2F)c2ncccc12.[H]/N=C(\N)c1nn(Cc2ccccc2F)c2ncccc12
• InChI: InChI=1S/C24H23FN6O3.C23H20FN7O.C15H14FN5.C14H12FN5.C11H16O5/c1-24(23(33)34-2,12-14-9-10-14)19-22(32)27-20(29-28-19)18-16-7-5-11-26-21(16)31(30-18)13-15-6-3-4-8-17(15)25;1-23(11-13-8-9-13)18-20(27-22(23)32)26-19(29-28-18)17-15-6-4-10-25-21(15)31(30-17)12-14-5-2-3-7-16(14)24;16-12-6-2-1-4-10(12)9-21-15-11(5-3-7-19-15)14(20-21)13(18)8-17;15-11-6-2-1-4-9(11)8-20-14-10(5-3-7-18-14)12(19-20)13(16)17;1-11(10(14)16-3,6-7-4-5-7)8(12)9(13)15-2/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,27,29,32);2-7,10,13H,8-9,11-12H2,1H3,(H,26,27,29,32);1-7,18H,8-9,17H2;1-7H,8H2,(H3,16,17);7H,4-6H2,1-3H3/b;;18-13+
• InChIKey: LFBFFHOQENTIFG-WZDVPFOKSA-N
• XLogP: 11.03
• TPSA: 444.96 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 24
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1672.78
LogP ≤ 5	11.03
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;dimethyl 2-(cyclopropylmethyl)-2-methyl-3-oxobutanedioate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-iminoethanamine;methyl 3-cyclopropyl-2-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate?

The IUPAC name of 7-(cyclopropylmethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;dimethyl 2-(cyclopropylmethyl)-2-methyl-3-oxobutanedioate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-iminoethanamine;methyl 3-cyclopropyl-2-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate (CID 159331856) is 7-(cyclopropylmethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;dimethyl 2-(cyclopropylmethyl)-2-methyl-3-oxobutanedioate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-iminoethanamine;methyl 3-cyclopropyl-2-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate.

What is the SMILES notation for 7-(cyclopropylmethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;dimethyl 2-(cyclopropylmethyl)-2-methyl-3-oxobutanedioate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-iminoethanamine;methyl 3-cyclopropyl-2-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate?

The canonical SMILES for 7-(cyclopropylmethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;dimethyl 2-(cyclopropylmethyl)-2-methyl-3-oxobutanedioate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-iminoethanamine;methyl 3-cyclopropyl-2-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate is CC1(CC2CC2)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nnc21.COC(=O)C(=O)C(C)(CC1CC1)C(=O)OC.COC(=O)C(C)(CC1CC1)c1nnc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c1=O.[H]/N=C(\CN)c1nn(Cc2ccccc2F)c2ncccc12.[H]/N=C(\N)c1nn(Cc2ccccc2F)c2ncccc12.

What is the InChIKey of 7-(cyclopropylmethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;dimethyl 2-(cyclopropylmethyl)-2-methyl-3-oxobutanedioate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-iminoethanamine;methyl 3-cyclopropyl-2-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate?

The InChIKey is LFBFFHOQENTIFG-WZDVPFOKSA-N. The full InChI is InChI=1S/C24H23FN6O3.C23H20FN7O.C15H14FN5.C14H12FN5.C11H16O5/c1-24(23(33)34-2,12-14-9-10-14)19-22(32)27-20(29-28-19)18-16-7-5-11-26-21(16)31(30-18)13-15-6-3-4-8-17(15)25;1-23(11-13-8-9-13)18-20(27-22(23)32)26-19(29-28-18)17-15-6-4-10-25-21(15)31(30-17)12-14-5-2-3-7-16(14)24;16-12-6-2-1-4-10(12)9-21-15-11(5-3-7-19-15)14(20-21)13(18)8-17;15-11-6-2-1-4-9(11)8-20-14-10(5-3-7-18-14)12(19-20)13(16)17;1-11(10(14)16-3,6-7-4-5-7)8(12)9(13)15-2/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,27,29,32);2-7,10,13H,8-9,11-12H2,1H3,(H,26,27,29,32);1-7,18H,8-9,17H2;1-7H,8H2,(H3,16,17);7H,4-6H2,1-3H3/b;;18-13+;;.

What are the key properties of 7-(cyclopropylmethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;dimethyl 2-(cyclopropylmethyl)-2-methyl-3-oxobutanedioate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-iminoethanamine;methyl 3-cyclopropyl-2-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate?

7-(cyclopropylmethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;dimethyl 2-(cyclopropylmethyl)-2-methyl-3-oxobutanedioate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-iminoethanamine;methyl 3-cyclopropyl-2-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate has a molecular weight of 1672.78 g/mol, XLogP of 11.03, 24 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(cyclopropylmethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;dimethyl 2-(cyclopropylmethyl)-2-methyl-3-oxobutanedioate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-iminoethanamine;methyl 3-cyclopropyl-2-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate is sourced from PubChem (CID 159331856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).