5-(1-methylpyrazol-4-yl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine

C22H16N8 — CID 137116608

About 5-(1-methylpyrazol-4-yl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine

5-(1-methylpyrazol-4-yl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 137116608) has the molecular formula C22H16N8 and a molecular weight of 392.43 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

• Compound Name: 5-(1-methylpyrazol-4-yl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
• PubChem CID: 137116608
• Molecular Formula: C22H16N8
• Molecular Weight: 392.43 g/mol
• Exact Mass: 392.15
• IUPAC Name: 5-(1-methylpyrazol-4-yl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
• SMILES: Cn1cc(-c2cc3c(-c4cc5c(-c6ccncc6)cncc5[nH]4)n[nH]c3cn2)cn1
• InChI: InChI=1S/C22H16N8/c1-30-12-14(8-26-30)18-7-16-21(11-25-18)28-29-22(16)19-6-15-17(9-24-10-20(15)27-19)13-2-4-23-5-3-13/h2-12,27H,1H3,(H,28,29)
• InChIKey: VTXYGBRAIPEHFH-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 100.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.43
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-(1-methylpyrazol-4-yl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine (CID 137116608) is 5-(1-methylpyrazol-4-yl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine.

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

The canonical SMILES for 5-(1-methylpyrazol-4-yl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine is Cn1cc(-c2cc3c(-c4cc5c(-c6ccncc6)cncc5[nH]4)n[nH]c3cn2)cn1.

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

The InChIKey is VTXYGBRAIPEHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N8/c1-30-12-14(8-26-30)18-7-16-21(11-25-18)28-29-22(16)19-6-15-17(9-24-10-20(15)27-19)13-2-4-23-5-3-13/h2-12,27H,1H3,(H,28,29).

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

5-(1-methylpyrazol-4-yl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 392.43 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1-methylpyrazol-4-yl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 137116608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).