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

C22H27N5O2 — CID 110242181

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

N-[2-[3-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide (PubChem CID 110242181) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[2-[3-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[3-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
• PubChem CID: 110242181
• Molecular Formula: C22H27N5O2
• Molecular Weight: 393.49 g/mol
• Exact Mass: 393.22
• IUPAC Name: N-[2-[3-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
• SMILES: COc1ccccc1CN1CCC(c2nn(CCNC(C)=O)c3ncccc23)C1
• InChI: InChI=1S/C22H27N5O2/c1-16(28)23-11-13-27-22-19(7-5-10-24-22)21(25-27)18-9-12-26(15-18)14-17-6-3-4-8-20(17)29-2/h3-8,10,18H,9,11-15H2,1-2H3,(H,23,28)
• InChIKey: UTDKEJCSVPMTBZ-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.49
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[2-[3-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide (CID 110242181) is N-[2-[3-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide.

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

The canonical SMILES for N-[2-[3-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide is COc1ccccc1CN1CCC(c2nn(CCNC(C)=O)c3ncccc23)C1.

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

The InChIKey is UTDKEJCSVPMTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-16(28)23-11-13-27-22-19(7-5-10-24-22)21(25-27)18-9-12-26(15-18)14-17-6-3-4-8-20(17)29-2/h3-8,10,18H,9,11-15H2,1-2H3,(H,23,28).

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

N-[2-[3-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide has a molecular weight of 393.49 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide is sourced from PubChem (CID 110242181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).