N-[2-[3-[(3R)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide

C21H24FN5O — CID 92550533

About N-[2-[3-[(3R)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide

N-[2-[3-[(3R)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide (PubChem CID 92550533) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[2-[3-[(3R)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[3-[(3R)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
• PubChem CID: 92550533
• Molecular Formula: C21H24FN5O
• Molecular Weight: 381.46 g/mol
• Exact Mass: 381.20
• IUPAC Name: N-[2-[3-[(3R)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
• SMILES: CC(=O)NCCn1nc([C@@H]2CCN(Cc3ccccc3F)C2)c2cccnc21
• InChI: InChI=1S/C21H24FN5O/c1-15(28)23-10-12-27-21-18(6-4-9-24-21)20(25-27)17-8-11-26(14-17)13-16-5-2-3-7-19(16)22/h2-7,9,17H,8,10-14H2,1H3,(H,23,28)/t17-/m1/s1
• InChIKey: JDWCTAAWCUOVRE-QGZVFWFLSA-N
• XLogP: 2.70
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.46
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(3R)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide?

The IUPAC name of N-[2-[3-[(3R)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide (CID 92550533) is N-[2-[3-[(3R)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide.

What is the SMILES notation for N-[2-[3-[(3R)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide?

The canonical SMILES for N-[2-[3-[(3R)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide is CC(=O)NCCn1nc([C@@H]2CCN(Cc3ccccc3F)C2)c2cccnc21.

What is the InChIKey of N-[2-[3-[(3R)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide?

The InChIKey is JDWCTAAWCUOVRE-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-15(28)23-10-12-27-21-18(6-4-9-24-21)20(25-27)17-8-11-26(14-17)13-16-5-2-3-7-19(16)22/h2-7,9,17H,8,10-14H2,1H3,(H,23,28)/t17-/m1/s1.

What are the key properties of N-[2-[3-[(3R)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide?

N-[2-[3-[(3R)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide has a molecular weight of 381.46 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-[(3R)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide is sourced from PubChem (CID 92550533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).