3-(1H-indol-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine

C25H24N6O — CID 137113629

About 3-(1H-indol-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine

3-(1H-indol-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine (PubChem CID 137113629) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is 3-(1H-indol-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

• Compound Name: 3-(1H-indol-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
• PubChem CID: 137113629
• Molecular Formula: C25H24N6O
• Molecular Weight: 424.51 g/mol
• Exact Mass: 424.20
• IUPAC Name: 3-(1H-indol-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
• SMILES: c1ccc2[nH]c(-c3n[nH]c4cnc(-c5cncc(OCCN6CCCC6)c5)cc34)cc2c1
• InChI: InChI=1S/C25H24N6O/c1-2-6-21-17(5-1)12-23(28-21)25-20-13-22(27-16-24(20)29-30-25)18-11-19(15-26-14-18)32-10-9-31-7-3-4-8-31/h1-2,5-6,11-16,28H,3-4,7-10H2,(H,29,30)
• InChIKey: FBJMTDZSWSNBNI-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 82.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.51
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?

The IUPAC name of 3-(1H-indol-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine (CID 137113629) is 3-(1H-indol-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine.

What is the SMILES notation for 3-(1H-indol-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?

The canonical SMILES for 3-(1H-indol-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine is c1ccc2[nH]c(-c3n[nH]c4cnc(-c5cncc(OCCN6CCCC6)c5)cc34)cc2c1.

What is the InChIKey of 3-(1H-indol-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?

The InChIKey is FBJMTDZSWSNBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c1-2-6-21-17(5-1)12-23(28-21)25-20-13-22(27-16-24(20)29-30-25)18-11-19(15-26-14-18)32-10-9-31-7-3-4-8-31/h1-2,5-6,11-16,28H,3-4,7-10H2,(H,29,30).

What are the key properties of 3-(1H-indol-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?

3-(1H-indol-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 424.51 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1H-indol-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 137113629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).