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

C28H24FN9O — CID 145023295

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

6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-N-(3-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidine-4-carboxamide (PubChem CID 145023295) has the molecular formula C28H24FN9O and a molecular weight of 521.56 g/mol. Its IUPAC name is 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-N-(3-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-N-(3-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidine-4-carboxamide
• PubChem CID: 145023295
• Molecular Formula: C28H24FN9O
• Molecular Weight: 521.56 g/mol
• Exact Mass: 521.21
• IUPAC Name: 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-N-(3-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidine-4-carboxamide
• SMILES: Cc1cccnc1NC(=O)c1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2c1C(C)(C)C(N)=N2
• InChI: InChI=1S/C28H24FN9O/c1-15-8-6-12-31-22(15)35-26(39)21-19-23(36-27(30)28(19,2)3)34-24(33-21)20-17-10-7-13-32-25(17)38(37-20)14-16-9-4-5-11-18(16)29/h4-13H,14H2,1-3H3,(H,31,35,39)(H2,30,33,34,36)
• InChIKey: IDVCXFFUDAISPD-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 136.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.56
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-N-(3-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidine-4-carboxamide (CID 145023295) is 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-N-(3-methyl-2-pyridinyl)pyrrolo[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]-5,5-dimethyl-N-(3-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidine-4-carboxamide?

The canonical SMILES for 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-N-(3-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidine-4-carboxamide is Cc1cccnc1NC(=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]-5,5-dimethyl-N-(3-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidine-4-carboxamide?

The InChIKey is IDVCXFFUDAISPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN9O/c1-15-8-6-12-31-22(15)35-26(39)21-19-23(36-27(30)28(19,2)3)34-24(33-21)20-17-10-7-13-32-25(17)38(37-20)14-16-9-4-5-11-18(16)29/h4-13H,14H2,1-3H3,(H,31,35,39)(H2,30,33,34,36).

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

6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-N-(3-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidine-4-carboxamide has a molecular weight of 521.56 g/mol, XLogP of 4.31, 5 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]-5,5-dimethyl-N-(3-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 145023295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).