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

C21H24N6O2 — CID 92550499

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

N-[2-[3-[(3R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide (PubChem CID 92550499) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[2-[3-[(3R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[3-[(3R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
• PubChem CID: 92550499
• Molecular Formula: C21H24N6O2
• Molecular Weight: 392.46 g/mol
• Exact Mass: 392.20
• IUPAC Name: N-[2-[3-[(3R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
• SMILES: CC(=O)NCCn1nc([C@@H]2CCN(C(=O)Cc3ccccn3)C2)c2cccnc21
• InChI: InChI=1S/C21H24N6O2/c1-15(28)22-10-12-27-21-18(6-4-9-24-21)20(25-27)16-7-11-26(14-16)19(29)13-17-5-2-3-8-23-17/h2-6,8-9,16H,7,10-14H2,1H3,(H,22,28)/t16-/m1/s1
• InChIKey: HRMPOKBCAYFGEM-MRXNPFEDSA-N
• XLogP: 1.52
• TPSA: 93.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.46
LogP ≤ 5	1.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[2-[3-[(3R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide (CID 92550499) is N-[2-[3-[(3R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide.

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

The canonical SMILES for N-[2-[3-[(3R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide is CC(=O)NCCn1nc([C@@H]2CCN(C(=O)Cc3ccccn3)C2)c2cccnc21.

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

The InChIKey is HRMPOKBCAYFGEM-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-15(28)22-10-12-27-21-18(6-4-9-24-21)20(25-27)16-7-11-26(14-16)19(29)13-17-5-2-3-8-23-17/h2-6,8-9,16H,7,10-14H2,1H3,(H,22,28)/t16-/m1/s1.

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

N-[2-[3-[(3R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide has a molecular weight of 392.46 g/mol, XLogP of 1.52, 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-(2-pyridin-2-ylacetyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide is sourced from PubChem (CID 92550499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).