6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-methoxyethyl)-5,5-dimethylpyrrolo[2,3-d]pyrimidine-4-carboxamide

C25H25FN8O2 — CID 145023296

About 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-methoxyethyl)-5,5-dimethylpyrrolo[2,3-d]pyrimidine-4-carboxamide

6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-methoxyethyl)-5,5-dimethylpyrrolo[2,3-d]pyrimidine-4-carboxamide (PubChem CID 145023296) has the molecular formula C25H25FN8O2 and a molecular weight of 488.53 g/mol. Its IUPAC name is 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-methoxyethyl)-5,5-dimethylpyrrolo[2,3-d]pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-methoxyethyl)-5,5-dimethylpyrrolo[2,3-d]pyrimidine-4-carboxamide
• PubChem CID: 145023296
• Molecular Formula: C25H25FN8O2
• Molecular Weight: 488.53 g/mol
• Exact Mass: 488.21
• IUPAC Name: 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-methoxyethyl)-5,5-dimethylpyrrolo[2,3-d]pyrimidine-4-carboxamide
• SMILES: COCCNC(=O)c1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2c1C(C)(C)C(N)=N2
• InChI: InChI=1S/C25H25FN8O2/c1-25(2)17-19(23(35)29-11-12-36-3)30-21(31-20(17)32-24(25)27)18-15-8-6-10-28-22(15)34(33-18)13-14-7-4-5-9-16(14)26/h4-10H,11-13H2,1-3H3,(H,29,35)(H2,27,30,31,32)
• InChIKey: GAKALMXAXGXUBD-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 133.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.53
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-methoxyethyl)-5,5-dimethylpyrrolo[2,3-d]pyrimidine-4-carboxamide?

The IUPAC name of 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-methoxyethyl)-5,5-dimethylpyrrolo[2,3-d]pyrimidine-4-carboxamide (CID 145023296) is 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-methoxyethyl)-5,5-dimethylpyrrolo[2,3-d]pyrimidine-4-carboxamide.

What is the SMILES notation for 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-methoxyethyl)-5,5-dimethylpyrrolo[2,3-d]pyrimidine-4-carboxamide?

The canonical SMILES for 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-methoxyethyl)-5,5-dimethylpyrrolo[2,3-d]pyrimidine-4-carboxamide is COCCNC(=O)c1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2c1C(C)(C)C(N)=N2.

What is the InChIKey of 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-methoxyethyl)-5,5-dimethylpyrrolo[2,3-d]pyrimidine-4-carboxamide?

The InChIKey is GAKALMXAXGXUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN8O2/c1-25(2)17-19(23(35)29-11-12-36-3)30-21(31-20(17)32-24(25)27)18-15-8-6-10-28-22(15)34(33-18)13-14-7-4-5-9-16(14)26/h4-10H,11-13H2,1-3H3,(H,29,35)(H2,27,30,31,32).

What are the key properties of 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-methoxyethyl)-5,5-dimethylpyrrolo[2,3-d]pyrimidine-4-carboxamide?

6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-methoxyethyl)-5,5-dimethylpyrrolo[2,3-d]pyrimidine-4-carboxamide has a molecular weight of 488.53 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-methoxyethyl)-5,5-dimethylpyrrolo[2,3-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 145023296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).