N'-amino-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;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;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

C₈₆H₈₄F₄N₂₄O₉ — CID 157217109

About N'-amino-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;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;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

N'-amino-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;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;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 157217109) has the molecular formula C₈₆H₈₄F₄N₂₄O₉ and a molecular weight of 1673.77 g/mol. Its IUPAC name is N'-amino-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;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;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: N'-amino-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;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;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: 157217109
• Molecular Formula: C₈₆H₈₄F₄N₂₄O₉
• Molecular Weight: 1673.77 g/mol
• Exact Mass: 1672.68
• IUPAC Name: N'-amino-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;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;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.NN=C(N)c1nn(Cc2ccccc2F)c2ncccc12.[H]/N=C(\N)c1nn(Cc2ccccc2F)c2ncccc12
• InChI: InChI=1S/C24H23FN6O3.C23H20FN7O.C14H13FN6.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;15-11-6-2-1-4-9(11)8-21-14-10(5-3-7-18-14)12(20-21)13(16)19-17;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);1-7H,8,17H2,(H2,16,19);1-7H,8H2,(H3,16,17);7H,4-6H2,1-3H3
• InChIKey: ASNXAZPQEUTJBR-UHFFFAOYSA-N
• XLogP: 10.28
• TPSA: 459.49 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 23
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1673.77
LogP ≤ 5	10.28
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': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-amino-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;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;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 N'-amino-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;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;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 157217109) is N'-amino-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;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;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 N'-amino-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;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;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 N'-amino-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;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;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.NN=C(N)c1nn(Cc2ccccc2F)c2ncccc12.[H]/N=C(\N)c1nn(Cc2ccccc2F)c2ncccc12.

What is the InChIKey of N'-amino-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;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;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 ASNXAZPQEUTJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O3.C23H20FN7O.C14H13FN6.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;15-11-6-2-1-4-9(11)8-21-14-10(5-3-7-18-14)12(20-21)13(16)19-17;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);1-7H,8,17H2,(H2,16,19);1-7H,8H2,(H3,16,17);7H,4-6H2,1-3H3.

What are the key properties of N'-amino-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;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;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?

N'-amino-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;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;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 1673.77 g/mol, XLogP of 10.28, 23 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N'-amino-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;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;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 157217109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157217109 — identifiers, structure, computed properties (public domain)

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