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

C26H24FN9O — CID 71285373

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

2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-[(2-methylpyrazol-3-yl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 71285373) has the molecular formula C26H24FN9O and a molecular weight of 497.54 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-[(2-methylpyrazol-3-yl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-[(2-methylpyrazol-3-yl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 71285373
• Molecular Formula: C26H24FN9O
• Molecular Weight: 497.54 g/mol
• Exact Mass: 497.21
• IUPAC Name: 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-[(2-methylpyrazol-3-yl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: Cn1nccc1CNc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2c1C(C)(C)C(=O)N2
• InChI: InChI=1S/C26H24FN9O/c1-26(2)19-21(29-13-16-10-12-30-35(16)3)31-23(32-22(19)33-25(26)37)20-17-8-6-11-28-24(17)36(34-20)14-15-7-4-5-9-18(15)27/h4-12H,13-14H2,1-3H3,(H2,29,31,32,33,37)
• InChIKey: LRKVOUVHIUNISO-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 115.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.54
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-[(2-methylpyrazol-3-yl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-one (CID 71285373) is 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-[(2-methylpyrazol-3-yl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-one.

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

The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-[(2-methylpyrazol-3-yl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-one is Cn1nccc1CNc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2c1C(C)(C)C(=O)N2.

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

The InChIKey is LRKVOUVHIUNISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN9O/c1-26(2)19-21(29-13-16-10-12-30-35(16)3)31-23(32-22(19)33-25(26)37)20-17-8-6-11-28-24(17)36(34-20)14-15-7-4-5-9-18(15)27/h4-12H,13-14H2,1-3H3,(H2,29,31,32,33,37).

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

2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-[(2-methylpyrazol-3-yl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 497.54 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-[(2-methylpyrazol-3-yl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 71285373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).