4-(6-ethoxy-3-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one

C28H24FN7O2 — CID 71621686

About 4-(6-ethoxy-3-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one

4-(6-ethoxy-3-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 71621686) has the molecular formula C28H24FN7O2 and a molecular weight of 509.55 g/mol. Its IUPAC name is 4-(6-ethoxy-3-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 4-(6-ethoxy-3-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 71621686
• Molecular Formula: C28H24FN7O2
• Molecular Weight: 509.55 g/mol
• Exact Mass: 509.20
• IUPAC Name: 4-(6-ethoxy-3-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: CCOc1ccc(-c2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc3c2C(C)(C)C(=O)N3)cn1
• InChI: InChI=1S/C28H24FN7O2/c1-4-38-20-12-11-16(14-31-20)22-21-24(34-27(37)28(21,2)3)33-25(32-22)23-18-9-7-13-30-26(18)36(35-23)15-17-8-5-6-10-19(17)29/h5-14H,4,15H2,1-3H3,(H,32,33,34,37)
• InChIKey: DVRPLFQKIMUDFC-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 107.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.55
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-(6-ethoxy-3-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (CID 71621686) is 4-(6-ethoxy-3-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one.

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

The canonical SMILES for 4-(6-ethoxy-3-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is CCOc1ccc(-c2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc3c2C(C)(C)C(=O)N3)cn1.

What is the InChIKey of 4-(6-ethoxy-3-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?

The InChIKey is DVRPLFQKIMUDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN7O2/c1-4-38-20-12-11-16(14-31-20)22-21-24(34-27(37)28(21,2)3)33-25(32-22)23-18-9-7-13-30-26(18)36(35-23)15-17-8-5-6-10-19(17)29/h5-14H,4,15H2,1-3H3,(H,32,33,34,37).

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

4-(6-ethoxy-3-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 509.55 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-ethoxy-3-pyridinyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 71621686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).