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

C19H27N5O2 — CID 124895266

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

N-[2-[3-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide (PubChem CID 124895266) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[2-[3-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[3-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
• PubChem CID: 124895266
• Molecular Formula: C19H27N5O2
• Molecular Weight: 357.46 g/mol
• Exact Mass: 357.22
• IUPAC Name: N-[2-[3-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
• SMILES: CC(=O)NCCn1nc([C@@H]2CCN(C[C@H]3CCOC3)C2)c2cccnc21
• InChI: InChI=1S/C19H27N5O2/c1-14(25)20-7-9-24-19-17(3-2-6-21-19)18(22-24)16-4-8-23(12-16)11-15-5-10-26-13-15/h2-3,6,15-16H,4-5,7-13H2,1H3,(H,20,25)/t15-,16-/m1/s1
• InChIKey: FHSZIBHPEQJNMR-HZPDHXFCSA-N
• XLogP: 1.39
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.46
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[2-[3-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide (CID 124895266) is N-[2-[3-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide.

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

The canonical SMILES for N-[2-[3-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide is CC(=O)NCCn1nc([C@@H]2CCN(C[C@H]3CCOC3)C2)c2cccnc21.

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

The InChIKey is FHSZIBHPEQJNMR-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-14(25)20-7-9-24-19-17(3-2-6-21-19)18(22-24)16-4-8-23(12-16)11-15-5-10-26-13-15/h2-3,6,15-16H,4-5,7-13H2,1H3,(H,20,25)/t15-,16-/m1/s1.

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

N-[2-[3-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide has a molecular weight of 357.46 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide is sourced from PubChem (CID 124895266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).