3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrazolo[5,4-b]pyridine

C24H24F3N7 — CID 146612269

About 3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrazolo[5,4-b]pyridine

3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrazolo[5,4-b]pyridine (PubChem CID 146612269) has the molecular formula C24H24F3N7 and a molecular weight of 467.50 g/mol. Its IUPAC name is 3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrazolo[5,4-b]pyridine.

Molecular Properties

• Compound Name: 3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrazolo[5,4-b]pyridine
• PubChem CID: 146612269
• Molecular Formula: C24H24F3N7
• Molecular Weight: 467.50 g/mol
• Exact Mass: 467.20
• IUPAC Name: 3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrazolo[5,4-b]pyridine
• SMILES: Fc1ccc(F)c([C@H]2C[C@H](F)CN2c2n[nH]c3ncc(-c4cnn(C5CCNCC5)c4)cc23)c1
• InChI: InChI=1S/C24H24F3N7/c25-16-1-2-21(27)19(8-16)22-9-17(26)13-33(22)24-20-7-14(10-29-23(20)31-32-24)15-11-30-34(12-15)18-3-5-28-6-4-18/h1-2,7-8,10-12,17-18,22,28H,3-6,9,13H2,(H,29,31,32)/t17-,22+/m0/s1
• InChIKey: KFKPVCJCLUZHBP-HTAPYJJXSA-N
• XLogP: 4.31
• TPSA: 74.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.50
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrazolo[5,4-b]pyridine?

The IUPAC name of 3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrazolo[5,4-b]pyridine (CID 146612269) is 3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrazolo[5,4-b]pyridine.

What is the SMILES notation for 3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrazolo[5,4-b]pyridine?

The canonical SMILES for 3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrazolo[5,4-b]pyridine is Fc1ccc(F)c([C@H]2C[C@H](F)CN2c2n[nH]c3ncc(-c4cnn(C5CCNCC5)c4)cc23)c1.

What is the InChIKey of 3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrazolo[5,4-b]pyridine?

The InChIKey is KFKPVCJCLUZHBP-HTAPYJJXSA-N. The full InChI is InChI=1S/C24H24F3N7/c25-16-1-2-21(27)19(8-16)22-9-17(26)13-33(22)24-20-7-14(10-29-23(20)31-32-24)15-11-30-34(12-15)18-3-5-28-6-4-18/h1-2,7-8,10-12,17-18,22,28H,3-6,9,13H2,(H,29,31,32)/t17-,22+/m0/s1.

What are the key properties of 3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrazolo[5,4-b]pyridine?

3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrazolo[5,4-b]pyridine has a molecular weight of 467.50 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 146612269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).