2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-N-(3-methyl-4-pyridinyl)-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide

C28H23FN8O2 — CID 130319689

About 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-N-(3-methyl-4-pyridinyl)-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide

2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-N-(3-methyl-4-pyridinyl)-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide (PubChem CID 130319689) has the molecular formula C28H23FN8O2 and a molecular weight of 522.54 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-N-(3-methyl-4-pyridinyl)-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-N-(3-methyl-4-pyridinyl)-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
• PubChem CID: 130319689
• Molecular Formula: C28H23FN8O2
• Molecular Weight: 522.54 g/mol
• Exact Mass: 522.19
• IUPAC Name: 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-N-(3-methyl-4-pyridinyl)-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
• SMILES: Cc1cnccc1NC(=O)c1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2c1C(C)(C)C(=O)N2
• InChI: InChI=1S/C28H23FN8O2/c1-15-13-30-12-10-19(15)32-26(38)22-20-23(35-27(39)28(20,2)3)34-24(33-22)21-17-8-6-11-31-25(17)37(36-21)14-16-7-4-5-9-18(16)29/h4-13H,14H2,1-3H3,(H,30,32,38)(H,33,34,35,39)
• InChIKey: IWBYNUWTKFJYIZ-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 127.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.54
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-N-(3-methyl-4-pyridinyl)-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide (CID 130319689) is 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-N-(3-methyl-4-pyridinyl)-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide.

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

The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-N-(3-methyl-4-pyridinyl)-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide is Cc1cnccc1NC(=O)c1nc(-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-N-(3-methyl-4-pyridinyl)-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?

The InChIKey is IWBYNUWTKFJYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN8O2/c1-15-13-30-12-10-19(15)32-26(38)22-20-23(35-27(39)28(20,2)3)34-24(33-22)21-17-8-6-11-31-25(17)37(36-21)14-16-7-4-5-9-18(16)29/h4-13H,14H2,1-3H3,(H,30,32,38)(H,33,34,35,39).

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

2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-N-(3-methyl-4-pyridinyl)-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide has a molecular weight of 522.54 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 8 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-N-(3-methyl-4-pyridinyl)-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 130319689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).