N-[2-[3-(1-acetylpyrrolidin-3-yl)pyrazolo[3,4-b]pyridin-1-yl]ethyl]-5-methylthiophene-2-carboxamide

C20H23N5O2S — CID 110242105

About N-[2-[3-(1-acetylpyrrolidin-3-yl)pyrazolo[3,4-b]pyridin-1-yl]ethyl]-5-methylthiophene-2-carboxamide

N-[2-[3-(1-acetylpyrrolidin-3-yl)pyrazolo[3,4-b]pyridin-1-yl]ethyl]-5-methylthiophene-2-carboxamide (PubChem CID 110242105) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[2-[3-(1-acetylpyrrolidin-3-yl)pyrazolo[3,4-b]pyridin-1-yl]ethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[3-(1-acetylpyrrolidin-3-yl)pyrazolo[3,4-b]pyridin-1-yl]ethyl]-5-methylthiophene-2-carboxamide
• PubChem CID: 110242105
• Molecular Formula: C20H23N5O2S
• Molecular Weight: 397.50 g/mol
• Exact Mass: 397.16
• IUPAC Name: N-[2-[3-(1-acetylpyrrolidin-3-yl)pyrazolo[3,4-b]pyridin-1-yl]ethyl]-5-methylthiophene-2-carboxamide
• SMILES: CC(=O)N1CCC(c2nn(CCNC(=O)c3ccc(C)s3)c3ncccc23)C1
• InChI: InChI=1S/C20H23N5O2S/c1-13-5-6-17(28-13)20(27)22-9-11-25-19-16(4-3-8-21-19)18(23-25)15-7-10-24(12-15)14(2)26/h3-6,8,15H,7,9-12H2,1-2H3,(H,22,27)
• InChIKey: OGWYHFCFBKEXMU-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.50
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-acetylpyrrolidin-3-yl)pyrazolo[3,4-b]pyridin-1-yl]ethyl]-5-methylthiophene-2-carboxamide?

The IUPAC name of N-[2-[3-(1-acetylpyrrolidin-3-yl)pyrazolo[3,4-b]pyridin-1-yl]ethyl]-5-methylthiophene-2-carboxamide (CID 110242105) is N-[2-[3-(1-acetylpyrrolidin-3-yl)pyrazolo[3,4-b]pyridin-1-yl]ethyl]-5-methylthiophene-2-carboxamide.

What is the SMILES notation for N-[2-[3-(1-acetylpyrrolidin-3-yl)pyrazolo[3,4-b]pyridin-1-yl]ethyl]-5-methylthiophene-2-carboxamide?

The canonical SMILES for N-[2-[3-(1-acetylpyrrolidin-3-yl)pyrazolo[3,4-b]pyridin-1-yl]ethyl]-5-methylthiophene-2-carboxamide is CC(=O)N1CCC(c2nn(CCNC(=O)c3ccc(C)s3)c3ncccc23)C1.

What is the InChIKey of N-[2-[3-(1-acetylpyrrolidin-3-yl)pyrazolo[3,4-b]pyridin-1-yl]ethyl]-5-methylthiophene-2-carboxamide?

The InChIKey is OGWYHFCFBKEXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-13-5-6-17(28-13)20(27)22-9-11-25-19-16(4-3-8-21-19)18(23-25)15-7-10-24(12-15)14(2)26/h3-6,8,15H,7,9-12H2,1-2H3,(H,22,27).

What are the key properties of N-[2-[3-(1-acetylpyrrolidin-3-yl)pyrazolo[3,4-b]pyridin-1-yl]ethyl]-5-methylthiophene-2-carboxamide?

N-[2-[3-(1-acetylpyrrolidin-3-yl)pyrazolo[3,4-b]pyridin-1-yl]ethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-(1-acetylpyrrolidin-3-yl)pyrazolo[3,4-b]pyridin-1-yl]ethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 110242105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).