6-cyclobutyloxy-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide

C25H26FN5O4 — CID 169223731

About 6-cyclobutyloxy-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide

6-cyclobutyloxy-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 169223731) has the molecular formula C25H26FN5O4 and a molecular weight of 479.51 g/mol. Its IUPAC name is 6-cyclobutyloxy-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 6-cyclobutyloxy-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
• PubChem CID: 169223731
• Molecular Formula: C25H26FN5O4
• Molecular Weight: 479.51 g/mol
• Exact Mass: 479.20
• IUPAC Name: 6-cyclobutyloxy-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
• SMILES: CC12CC(n3cc4cc(C(=O)Nc5cccn([C@H]6C[C@H]6F)c5=O)c(OC5CCC5)nc4n3)(CO1)C2
• InChI: InChI=1S/C25H26FN5O4/c1-24-11-25(12-24,13-34-24)31-10-14-8-16(22(28-20(14)29-31)35-15-4-2-5-15)21(32)27-18-6-3-7-30(23(18)33)19-9-17(19)26/h3,6-8,10,15,17,19H,2,4-5,9,11-13H2,1H3,(H,27,32)/t17-,19+,24?,25?/m1/s1
• InChIKey: GDJXIGNFPKWICB-NJAGTKQXSA-N
• XLogP: 3.34
• TPSA: 100.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.51
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyloxy-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?

The IUPAC name of 6-cyclobutyloxy-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 169223731) is 6-cyclobutyloxy-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide.

What is the SMILES notation for 6-cyclobutyloxy-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?

The canonical SMILES for 6-cyclobutyloxy-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide is CC12CC(n3cc4cc(C(=O)Nc5cccn([C@H]6C[C@H]6F)c5=O)c(OC5CCC5)nc4n3)(CO1)C2.

What is the InChIKey of 6-cyclobutyloxy-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?

The InChIKey is GDJXIGNFPKWICB-NJAGTKQXSA-N. The full InChI is InChI=1S/C25H26FN5O4/c1-24-11-25(12-24,13-34-24)31-10-14-8-16(22(28-20(14)29-31)35-15-4-2-5-15)21(32)27-18-6-3-7-30(23(18)33)19-9-17(19)26/h3,6-8,10,15,17,19H,2,4-5,9,11-13H2,1H3,(H,27,32)/t17-,19+,24?,25?/m1/s1.

What are the key properties of 6-cyclobutyloxy-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?

6-cyclobutyloxy-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 479.51 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclobutyloxy-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 169223731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).