5-(4-methyl-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine

C24H23N7 — CID 137111185

About 5-(4-methyl-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine

5-(4-methyl-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 137111185) has the molecular formula C24H23N7 and a molecular weight of 409.50 g/mol. Its IUPAC name is 5-(4-methyl-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

• Compound Name: 5-(4-methyl-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
• PubChem CID: 137111185
• Molecular Formula: C24H23N7
• Molecular Weight: 409.50 g/mol
• Exact Mass: 409.20
• IUPAC Name: 5-(4-methyl-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
• SMILES: Cc1ccncc1-c1cc2c(-c3cc4c(N5CCCCC5)ccnc4[nH]3)n[nH]c2cn1
• InChI: InChI=1S/C24H23N7/c1-15-5-7-25-13-18(15)19-11-16-21(14-27-19)29-30-23(16)20-12-17-22(6-8-26-24(17)28-20)31-9-3-2-4-10-31/h5-8,11-14H,2-4,9-10H2,1H3,(H,26,28)(H,29,30)
• InChIKey: RKSTYOYNNHXUKK-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 86.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.50
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine?

The IUPAC name of 5-(4-methyl-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine (CID 137111185) is 5-(4-methyl-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine.

What is the SMILES notation for 5-(4-methyl-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine?

The canonical SMILES for 5-(4-methyl-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine is Cc1ccncc1-c1cc2c(-c3cc4c(N5CCCCC5)ccnc4[nH]3)n[nH]c2cn1.

What is the InChIKey of 5-(4-methyl-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine?

The InChIKey is RKSTYOYNNHXUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7/c1-15-5-7-25-13-18(15)19-11-16-21(14-27-19)29-30-23(16)20-12-17-22(6-8-26-24(17)28-20)31-9-3-2-4-10-31/h5-8,11-14H,2-4,9-10H2,1H3,(H,26,28)(H,29,30).

What are the key properties of 5-(4-methyl-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine?

5-(4-methyl-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 409.50 g/mol, XLogP of 4.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-methyl-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 137111185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).