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

C21H22FN5O2 — CID 92550503

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

N-[2-[3-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide (PubChem CID 92550503) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is N-[2-[3-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[3-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
• PubChem CID: 92550503
• Molecular Formula: C21H22FN5O2
• Molecular Weight: 395.44 g/mol
• Exact Mass: 395.18
• IUPAC Name: N-[2-[3-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
• SMILES: CC(=O)NCCn1nc([C@@H]2CCN(C(=O)c3cccc(F)c3)C2)c2cccnc21
• InChI: InChI=1S/C21H22FN5O2/c1-14(28)23-9-11-27-20-18(6-3-8-24-20)19(25-27)16-7-10-26(13-16)21(29)15-4-2-5-17(22)12-15/h2-6,8,12,16H,7,9-11,13H2,1H3,(H,23,28)/t16-/m1/s1
• InChIKey: NIDUAQXTWIVFQA-MRXNPFEDSA-N
• XLogP: 2.34
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.44
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[2-[3-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide (CID 92550503) is N-[2-[3-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide.

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

The canonical SMILES for N-[2-[3-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide is CC(=O)NCCn1nc([C@@H]2CCN(C(=O)c3cccc(F)c3)C2)c2cccnc21.

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

The InChIKey is NIDUAQXTWIVFQA-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H22FN5O2/c1-14(28)23-9-11-27-20-18(6-3-8-24-20)19(25-27)16-7-10-26(13-16)21(29)15-4-2-5-17(22)12-15/h2-6,8,12,16H,7,9-11,13H2,1H3,(H,23,28)/t16-/m1/s1.

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

N-[2-[3-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide has a molecular weight of 395.44 g/mol, XLogP of 2.34, 5 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-(3-fluorobenzoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide is sourced from PubChem (CID 92550503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).