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

C26H24FN7O3 — CID 147724942

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

(2R)-4-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methyl-4-oxobutanamide (PubChem CID 147724942) has the molecular formula C26H24FN7O3 and a molecular weight of 501.52 g/mol. Its IUPAC name is (2R)-4-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methyl-4-oxobutanamide.

Molecular Properties

• Compound Name: (2R)-4-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methyl-4-oxobutanamide
• PubChem CID: 147724942
• Molecular Formula: C26H24FN7O3
• Molecular Weight: 501.52 g/mol
• Exact Mass: 501.19
• IUPAC Name: (2R)-4-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methyl-4-oxobutanamide
• SMILES: C[C@H](CC(=O)c1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2c1C(C)(C)C(=O)N2)C(N)=O
• InChI: InChI=1S/C26H24FN7O3/c1-13(21(28)36)11-17(35)20-18-22(32-25(37)26(18,2)3)31-23(30-20)19-15-8-6-10-29-24(15)34(33-19)12-14-7-4-5-9-16(14)27/h4-10,13H,11-12H2,1-3H3,(H2,28,36)(H,30,31,32,37)/t13-/m1/s1
• InChIKey: GXHLAGJXEKPRPG-CYBMUJFWSA-N
• XLogP: 3.00
• TPSA: 145.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.52
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (2R)-4-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methyl-4-oxobutanamide (CID 147724942) is (2R)-4-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methyl-4-oxobutanamide.

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

The canonical SMILES for (2R)-4-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methyl-4-oxobutanamide is C[C@H](CC(=O)c1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2c1C(C)(C)C(=O)N2)C(N)=O.

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

The InChIKey is GXHLAGJXEKPRPG-CYBMUJFWSA-N. The full InChI is InChI=1S/C26H24FN7O3/c1-13(21(28)36)11-17(35)20-18-22(32-25(37)26(18,2)3)31-23(30-20)19-15-8-6-10-29-24(15)34(33-19)12-14-7-4-5-9-16(14)27/h4-10,13H,11-12H2,1-3H3,(H2,28,36)(H,30,31,32,37)/t13-/m1/s1.

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

(2R)-4-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methyl-4-oxobutanamide has a molecular weight of 501.52 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-4-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methyl-4-oxobutanamide is sourced from PubChem (CID 147724942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).