N-[2-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-6-(3,3,3-trifluoropropylamino)pyrimidin-4-yl]acetamide

C22H19F5N8O — CID 134433909

About N-[2-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-6-(3,3,3-trifluoropropylamino)pyrimidin-4-yl]acetamide

N-[2-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-6-(3,3,3-trifluoropropylamino)pyrimidin-4-yl]acetamide (PubChem CID 134433909) has the molecular formula C22H19F5N8O and a molecular weight of 506.44 g/mol. Its IUPAC name is N-[2-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-6-(3,3,3-trifluoropropylamino)pyrimidin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-6-(3,3,3-trifluoropropylamino)pyrimidin-4-yl]acetamide
• PubChem CID: 134433909
• Molecular Formula: C22H19F5N8O
• Molecular Weight: 506.44 g/mol
• Exact Mass: 506.16
• IUPAC Name: N-[2-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-6-(3,3,3-trifluoropropylamino)pyrimidin-4-yl]acetamide
• SMILES: CC(=O)Nc1nc(-c2nn(Cc3ncccc3F)c3ncc(F)cc23)nc(NCCC(F)(F)F)c1C
• InChI: InChI=1S/C22H19F5N8O/c1-11-18(29-7-5-22(25,26)27)32-20(33-19(11)31-12(2)36)17-14-8-13(23)9-30-21(14)35(34-17)10-16-15(24)4-3-6-28-16/h3-4,6,8-9H,5,7,10H2,1-2H3,(H2,29,31,32,33,36)
• InChIKey: XAZQWOOHDCWIGM-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 110.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.44
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-6-(3,3,3-trifluoropropylamino)pyrimidin-4-yl]acetamide?

The IUPAC name of N-[2-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-6-(3,3,3-trifluoropropylamino)pyrimidin-4-yl]acetamide (CID 134433909) is N-[2-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-6-(3,3,3-trifluoropropylamino)pyrimidin-4-yl]acetamide.

What is the SMILES notation for N-[2-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-6-(3,3,3-trifluoropropylamino)pyrimidin-4-yl]acetamide?

The canonical SMILES for N-[2-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-6-(3,3,3-trifluoropropylamino)pyrimidin-4-yl]acetamide is CC(=O)Nc1nc(-c2nn(Cc3ncccc3F)c3ncc(F)cc23)nc(NCCC(F)(F)F)c1C.

What is the InChIKey of N-[2-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-6-(3,3,3-trifluoropropylamino)pyrimidin-4-yl]acetamide?

The InChIKey is XAZQWOOHDCWIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F5N8O/c1-11-18(29-7-5-22(25,26)27)32-20(33-19(11)31-12(2)36)17-14-8-13(23)9-30-21(14)35(34-17)10-16-15(24)4-3-6-28-16/h3-4,6,8-9H,5,7,10H2,1-2H3,(H2,29,31,32,33,36).

What are the key properties of N-[2-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-6-(3,3,3-trifluoropropylamino)pyrimidin-4-yl]acetamide?

N-[2-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-6-(3,3,3-trifluoropropylamino)pyrimidin-4-yl]acetamide has a molecular weight of 506.44 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-6-(3,3,3-trifluoropropylamino)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 134433909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).